SCHEMBL4582943

SCHEMBL4582943

OCCOc1nccc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RXRA P19793 4/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
SLC29A1 Q99808 1/20 0.33
MAPK8 P45983 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NUDT1 P36639 1/20 0.31
SCN9A Q15858 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ADORA1 P30542 1/20 0.31
NR1I2 O75469 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SSTR5 P35346 1/20 0.31
MAOA P21397 1/20 0.31
PDE5A O76074 1/20 0.31
MAPT P10636 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
SCHEMBL3513367 0.79 RXRA (0.33) RXRAGRIN1GRIN2BMAPK8RXRB
SCHEMBL6223037 0.79 TSHR (0.38) ALDH1A1RXRAGRIN1GRIN2BNUDT1
SCHEMBL16608863 0.78 ALDH1A1 (0.38) RECQLALDH1A1SLC29A1MAPK8NUDT1
SCHEMBL22576627 0.78 SMN1; SMN2 (0.41) ALDH1A1RXRAGRIN1GRIN2BMAPK8
SCHEMBL6918342 0.78 MAPK8 (0.45) RXRAGRIN1GRIN2BMAPK8
SCHEMBL22799650 0.77 KDM4E (0.33) RXRAGRIN1GRIN2B
SCHEMBL7029492 0.76 POLB (0.42) ALDH1A1RXRAGRIN1GRIN2BMAPK8
SCHEMBL5111507 0.74 SCN9A (0.44) RECQLRXRAGRIN1GRIN2BSCN9A
SCHEMBL11310555 0.73 RECQL (0.34) RECQL
SCHEMBL5422564 0.72 ALDH1A1 (0.46) RECQLALDH1A1SLC29A1NR1I2PDE5A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO 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-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-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
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
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
WO-2008074515-A1 NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
WO-2008074515-A1 NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-26 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 (1 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-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 RECQL 2750/4885ALDH1A1 523/4885RXRA 1254/4885

“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.