SCHEMBL11931176

SCHEMBL11931176

O=C(Nc1cc(N2CCCCC2CO)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 4/20 0.46
▸ NTRK1 P04629 1/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CDK7 P50613 3/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNK O75909 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CCNH P51946 2/20 0.42
▸ MNAT1 P51948 2/20 0.42
▸ CDK13 Q14004 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ CDK5 Q00535 4/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ TAOK1 Q7L7X3 2/20 0.41
▸ CCNT2 O60583 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CCNB2 O95067 1/20 0.41

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 0.97 BCL6 (0.48) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL11931177 0.97 BCL6 (0.48) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL11931180 0.94 CDK9 (0.49) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL14395171 0.86 CDK9 (0.49) BCL6NTRK1CDK9CDK2CDK7
SCHEMBL14395116 0.86 NTRK1 (0.46) NTRK1HDAC1SYKNPC1RAB9A
SCHEMBL11931184 0.80 HDAC1 (0.40) IRAK4HDAC1ALDH1A1MAP3K5CRACR2A
SCHEMBL11931181 0.80 HDAC1 (0.40) IRAK4HDAC1ALDH1A1MAP3K5CRACR2A
SCHEMBL11931171 0.80 MAP3K5 (0.45) CDK2GSK3BCCNA2HDAC1ALDH1A1
SCHEMBL11931172 0.79 ALDH1A1 (0.45) CDK2GSK3BCCNA2HDAC1NPC1
SCHEMBL14395351 0.79 HDAC1 (0.46) HDAC1NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCL6 985/4885NTRK1 3181/4885CDK9 9/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 BCL6 1167/4885NTRK1 1561/4885CDK9 117/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 BCL6 1167/4885NTRK1 1561/4885CDK9 117/4885

“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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