SCHEMBL11931177

SCHEMBL11931177

O=C(Nc1cc(N2CCC[C@@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 4/20 0.48
▸ NTRK1 P04629 2/20 0.45
▸ SYK P43405 1/20 0.40
▸ CDK9 P50750 5/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CDK7 P50613 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CCNK O75909 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CCNH P51946 2/20 0.40
▸ MNAT1 P51948 2/20 0.40
▸ CDK13 Q14004 2/20 0.40
▸ CDK12 Q9NYV4 2/20 0.40
▸ CDK5 Q00535 4/20 0.39
▸ CDK1 P06493 3/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ TAOK1 Q7L7X3 2/20 0.39
▸ CCNT2 O60583 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL11931173 1.00 BCL6 (0.48) BCL6NTRK1SYKCDK9CDK2
SCHEMBL11931176 0.97 BCL6 (0.46) BCL6NTRK1SYKCDK9CDK2
SCHEMBL11931180 0.91 CDK9 (0.49) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL14395116 0.88 NTRK1 (0.46) NTRK1SYKMAP3K5CRACR2AHDAC1
SCHEMBL14395171 0.84 CDK9 (0.49) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL13901577 0.80 NTRK1 (0.41) NTRK1GSK3BMAP3K5CRACR2AHDAC1
SCHEMBL14395351 0.79 HDAC1 (0.46) MAP3K5CRACR2AHDAC1
SCHEMBL11931154 0.79 NPC1 (0.43) MAP3K5CRACR2AHDAC1
SCHEMBL11935123 0.79 HTT (0.45) NTRK1MAP3K5CRACR2AHDAC1
SCHEMBL14516144 0.79 CDK1 (0.40) NTRK1CDK9CDK2CDK5CDK1

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 13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 BCL6 985/4885NTRK1 3181/4885SYK 2446/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 BCL6 1167/4885NTRK1 1561/4885SYK 645/4885

“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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