SCHEMBL790845

SCHEMBL790845

Cc1ccnc(C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.36
ALOX15 P16050 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 1/20 0.34
RAB9A P51151 4/20 0.33
CCR1 P32246 3/20 0.33
CCR5 P51681 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 3/20 0.33
PKM P14618 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
CCR8 P51685 2/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL13806062 0.85 ALOX15 (0.33) UHRF1ALOX15KMT2ARAB9ACCR1
SCHEMBL20909664 0.82 MAP4K1 (0.35) UHRF1ALOX15KMT2ARAB9ACCR1
SCHEMBL1092751 0.82 ALOX15 (0.37) UHRF1ALOX15KMT2ARAB9ACCR1
SCHEMBL27253721 0.82 RXRA (0.33) UHRF1ALOX15KMT2ARAB9ACCR1
SCHEMBL24690690 0.80 ALOX15 (0.36) UHRF1ALOX15KMT2ARAB9ACCR1
SCHEMBL2632680 0.79 MALT1 (0.46) UHRF1ALOX15NPSR1MAPTCYP2C9
SCHEMBL13806008 0.79 IDH1 (0.33) UHRF1ALOX15KMT2ANPSR1
SCHEMBL13806057 0.79 ALOX15 (0.35) UHRF1ALOX15KMT2ARAB9ANPSR1
SCHEMBL279200 0.76 SYK (0.39) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL7448792 0.76 KMT2A (0.36) ALOX15KMT2ARAB9ANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-20240023435-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-01-18 US disclosed
WO-2008148840-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 WO disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 WO disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 WO 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 (9 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT UHRF1 2485/4885ALOX15 3633/4885ADORA2A 2754/4885
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B UHRF1 3384/4885ALOX15 4606/4885ADORA2A 3290/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 UHRF1 2677/4885ALOX15 1927/4885ADORA2A 4687/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG UHRF1 2380/4885ALOX15 79/4885ADORA2A 1687/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM UHRF1 1806/4885ALOX15 238/4885ADORA2A 1829/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC UHRF1 1996/4885ALOX15 4703/4885ADORA2A 995/4885
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OCIAD2, OCIAD1 UHRF1 1354/4885ALOX15 533/4885ADORA2A 2336/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 UHRF1 809/4885ALOX15 490/4885ADORA2A 2538/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 UHRF1 864/4885ALOX15 2959/4885ADORA2A 3406/4885

“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.