SCHEMBL1775746

SCHEMBL1775746

CCC(C)[C](C)C(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL9793411 0.85 TSHR (0.44) TSHR
SCHEMBL4452909 0.73
SCHEMBL10496899 0.72 TSHR (0.38) TSHRALDH1A1
SCHEMBL10497008 0.71 TSHR (0.37) TSHR
SCHEMBL2491470 0.69
SCHEMBL4655237 0.67 TSHR (0.33) TSHR
SCHEMBL39400 0.65
SCHEMBL2825581 0.65
SCHEMBL28863462 0.65 RNPEP (0.33) TSHR
SCHEMBL4654060 0.65 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284963-A Reacting 9-amino tetracycline derivative with haloacyl halide in mixture of polar aprotic solvent, inert solvent, base; reacting product under inert atmosphere with nucleophilic amine AMERICAN CYANAMID COMPANY (US) 1994-02-08 US claimed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2958922-A1 PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
EP-2958923-A1 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
WO-2015121227-A1 6,9-DISUBSTITUTED 1-PHENYL-3H-2,3-BENZODIAZEPINES AND THEIR USE AS BROMODOMAIN INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121230-A1 9-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121268-A1 1-PHENYL-3H-2,3-BENZODIAZEPINES AND THEIR USE AS BROMODOMAIN INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014128070-A1 PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
US-20090149517-A1 NOVEL 2-SUBSTITUTED TIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-11 US disclosed
US-20080176866-A1 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent BAYER SCHERING PHARMA AG (DE) 2008-07-24 US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 US disclosed
EP-1939185-A1 New types of hetaryl-phenylendiamin-pyrimidines as protein kinase inhibitors for the treatment of cancer Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-02 EP disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20070191393-A1 Macrocyclic anilinopyrimidines with substituted sulphoximine as selective inhibitors of cell cycle kinases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-16 US disclosed
EP-1803723-A1 (2,4,9-TRIAZA-1(2,4)-PYRIMIDINA-3(1,3)-BENZENACYCLONONAPHAN-3^4-YL)-SULFOXIMIDE DERIVATIVES AS SELECTIVE INHIBITORS OF THE AURORA KINASE FOR THE TREATMENT OF CANCER Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0579071-A2 Heteroaromatic compounds and plant-protecting agents containing them BASF Aktiengesellschaft (DE) 1994-01-19 EP 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 (5 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-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS PRKCE, BRAF, PACSIN2 TSHR 2539/4885ALDH1A1 3892/4885MAPK1 198/4885
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 TSHR 4318/4885ALDH1A1 1535/4885MAPK1 12/4885
US-20080176866-A1 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent CDK2, MKI67, ERBB2 TSHR 896/4885ALDH1A1 523/4885MAPK1 81/4885
US-20070191393-A1 Macrocyclic anilinopyrimidines with substituted sulphoximine as selective inhibitors of cell cycle kinases CCNI, CDK2, CDK1 TSHR 3381/4885ALDH1A1 3242/4885MAPK1 137/4885
US-20090149517-A1 NOVEL 2-SUBSTITUTED TIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, TPMT, ABAT TSHR 304/4885ALDH1A1 487/4885MAPK1 3292/4885

“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.