SCHEMBL11931184

SCHEMBL11931184

O=C(Nc1cc(N[C@@H]2CCCC[C@@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.38
▸ TYK2 P29597 4/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL11931181 1.00 HDAC1 (0.40) HDAC1MAP3K5TYK2IRAK4CNR2
SCHEMBL14395376 0.87 KDM4E (0.38) HDAC1MAP3K5TYK2IRAK4KDM4E
SCHEMBL11931171 0.87 MAP3K5 (0.45) HDAC1MAP3K5TYK2HTTROCK2
SCHEMBL11931172 0.86 ALDH1A1 (0.45) HDAC1MAP3K5TYK2ALDH1A1
SCHEMBL14516144 0.85 CDK1 (0.40) HDAC1MAP3K5KDM4EHTTCRACR2A
SCHEMBL14516145 0.85 CDK1 (0.40) HDAC1MAP3K5KDM4EHTTCRACR2A
SCHEMBL11931179 0.81 HDAC1 (0.38) HDAC1MAP3K5CNR2KDM4EHTT
SCHEMBL11931176 0.80 BCL6 (0.46) HDAC1MAP3K5IRAK4CRACR2AALDH1A1
SCHEMBL14395351 0.80 HDAC1 (0.46) HDAC1MAP3K5KDM4EHTTCRACR2A
SCHEMBL11931154 0.80 NPC1 (0.43) HDAC1MAP3K5KDM4EHTTCRACR2A

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 HDAC1 726/4885MAP3K5 76/4885TYK2 722/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 HDAC1 1150/4885MAP3K5 11/4885TYK2 101/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 HDAC1 1150/4885MAP3K5 11/4885TYK2 101/4885

“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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