SCHEMBL14701579

SCHEMBL14701579

CC(C)c1cnn2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
KDM5B Q9UGL1 2/20 0.40
LRRK2 Q5S007 2/20 0.35
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
BACE1 P56817 1/20 0.32
SSTR4 P31391 1/20 0.32
NTRK1 P04629 1/20 0.30
CHRM5 P08912 1/20 0.30
PLK1 P53350 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PLK3 Q9H4B4 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
SCHEMBL902531 0.94 KDM5B (0.41) CYP11B1CYP11B2KDM5BLRRK2DRD4
SCHEMBL23109057 0.93 KDM5B (0.41) CYP11B1CYP11B2KDM5BLRRK2DRD4
SCHEMBL20053985 0.87 CYP11B2 (0.40) CYP11B1CYP11B2KDM5BLRRK2DRD4
SCHEMBL20053992 0.81 CYP11B1 (0.41) CYP11B1CYP11B2KDM5BLRRK2DRD4
SCHEMBL23762887 0.78 USP1 (0.33) KDM5BLRRK2
SCHEMBL22019786 0.78 DRD4 (0.36) CYP11B1CYP11B2KDM5BLRRK2DRD4
SCHEMBL21101279 0.74 LRRK2 (0.37) LRRK2
SCHEMBL25189413 0.74
SCHEMBL13684190 0.74
SCHEMBL25484494 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740481-B1 DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2024-06-26 EP disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 US disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 US disclosed
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 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 (11 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 CYP11B1 403/4885CYP11B2 431/4885KDM5B 3027/4885
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC CYP11B1 484/4885CYP11B2 354/4885KDM5B 664/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 CYP11B1 854/4885CYP11B2 842/4885KDM5B 250/4885
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP11B1 1246/4885CYP11B2 1125/4885KDM5B 96/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CYP11B1 1768/4885CYP11B2 1848/4885KDM5B 3420/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CYP11B1 2957/4885CYP11B2 2285/4885KDM5B 3405/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 CYP11B1 330/4885CYP11B2 305/4885KDM5B 3998/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC CYP11B1 70/4885CYP11B2 64/4885KDM5B 1680/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CYP11B1 2710/4885CYP11B2 2472/4885KDM5B 313/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CYP11B1 1473/4885CYP11B2 1972/4885KDM5B 192/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL CYP11B1 4877/4885CYP11B2 4859/4885KDM5B 1019/4885

“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.