SCHEMBL84119

SCHEMBL84119

Cc1cc(C(C)(C)C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
UHRF1 Q96T88 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL278866 0.84 CA2 (0.37) KDM4ECA2CHKANPC1LMNA
SCHEMBL17816462 0.83 CA2 (0.40) KDM4ECA2CHKAUHRF1THRB
SCHEMBL12859621 0.81 AAK1 (0.35) CA2CHKAUHRF1THRBALDH1A1
SCHEMBL31691999 0.81 CA2 (0.39) CA2CHKAUHRF1THRBAAK1
SCHEMBL11981574 0.81 KMT2A (0.31) CA2CHKAUHRF1THRB
SCHEMBL20320546 0.81 KDM4E (0.36) KDM4ECA2CHKAUHRF1THRB
SCHEMBL17816467 0.81 CA2 (0.39) CA2CHKAUHRF1THRBAAK1
SCHEMBL7704073 0.78 CA2 (0.56) KDM4ECA2CHKAUHRF1LMNA
SCHEMBL30849517 0.78
SCHEMBL17226913 0.78 KDM4E (0.31) KDM4EALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-11690850-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
US-11690850-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
US-20230193265-A1 CUG REPEAT SEQUENCE BINDING AGENT OSAKA UNIVERSITY (JP) 2023-06-22 US disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885CA2 3052/4885CHKA 71/4885
US-11690850-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 KDM4E 3689/4885CA2 4643/4885CHKA 629/4885
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 KDM4E 4599/4885CA2 2611/4885CHKA 825/4885
US-20230193265-A1 CUG REPEAT SEQUENCE BINDING AGENT CNBP, ZFR, HNRNPUL2 KDM4E 2563/4885CA2 3831/4885CHKA 4320/4885
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV KDM4E 3196/4885CA2 3868/4885CHKA 2972/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885CA2 3052/4885CHKA 71/4885
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 KDM4E 1081/4885CA2 1812/4885CHKA 558/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B KDM4E 2026/4885CA2 1481/4885CHKA 259/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 KDM4E 3817/4885CA2 3043/4885CHKA 1877/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885CA2 3325/4885CHKA 1645/4885
US-20230295169-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KDM4E 3817/4885CA2 3043/4885CHKA 1877/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 KDM4E 3817/4885CA2 3043/4885CHKA 1877/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885CA2 3958/4885CHKA 299/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885CA2 3325/4885CHKA 1645/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 KDM4E 1628/4885CA2 1948/4885CHKA 153/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 KDM4E 4076/4885CA2 4520/4885CHKA 3083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.