SCHEMBL11931171

SCHEMBL11931171

O=C(Nc1cc(NC2CCCC2)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.45
▸ CSNK2B P67870 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TYK2 P29597 4/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ ACKR3 P25106 1/20 0.40

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
SCHEMBL11931172 0.99 ALDH1A1 (0.45) MAP3K5CSNK2BHDAC1ALDH1A1SMN1; SMN2
SCHEMBL11931181 0.87 HDAC1 (0.40) MAP3K5HDAC1ALDH1A1TYK2ROCK2
SCHEMBL11931184 0.87 HDAC1 (0.40) MAP3K5HDAC1ALDH1A1TYK2ROCK2
SCHEMBL14395351 0.85 HDAC1 (0.46) MAP3K5HDAC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11935123 0.85 HTT (0.45) MAP3K5HDAC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11931154 0.85 NPC1 (0.43) MAP3K5HDAC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11931179 0.83 HDAC1 (0.38) MAP3K5HDAC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11931153 0.83 ADORA3 (0.50) HDAC1ALDH1A1CDK2GSK3B
SCHEMBL14542651 0.83 MAP3K5 (0.41) MAP3K5HDAC1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11931150 0.83 ADORA3 (0.52) MAP3K5HDAC1ALDH1A1SMN1; SMN2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
EP-1534710-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-10-24 — — EP disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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 (3 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-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK2, CDK1, CDKN1A MAP3K5 76/4885CSNK2B 199/4885HDAC1 726/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 MAP3K5 11/4885CSNK2B 433/4885HDAC1 1150/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 MAP3K5 11/4885CSNK2B 433/4885HDAC1 1150/4885

“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.

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