SCHEMBL11931150

SCHEMBL11931150

O=C(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.52
▸ TMIGD3 P0DMS9 1/20 0.52
▸ LMNA P02545 1/20 0.47
▸ GSK3B P49841 7/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAP3K5 Q99683 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL11931153 0.96 ADORA3 (0.50) ADORA3TMIGD3LMNAGSK3BALDH1A1
SCHEMBL11931149 0.91 PARP1 (0.44) ADORA3TMIGD3GSK3BALDH1A1MAPT
SCHEMBL14516141 0.85 GRM5 (0.41) ADORA3TMIGD3ALDH1A1
SCHEMBL14395129 0.85 GRM5 (0.41) ADORA3TMIGD3LMNAALDH1A1
SCHEMBL11935123 0.85 HTT (0.45) LMNAALDH1A1L3MBTL1MAPK1HTT
SCHEMBL14395351 0.85 HDAC1 (0.46) LMNAALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL11931154 0.85 NPC1 (0.43) LMNAALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL11931151 0.84 GRM5 (0.39) ADORA3TMIGD3ALDH1A1CDK2KDM4E
SCHEMBL11931186 0.83 GSK3B (0.51) LMNAGSK3BALDH1A1L3MBTL1MAPK1
SCHEMBL14542651 0.83 MAP3K5 (0.41) LMNAALDH1A1L3MBTL1MAPTMAPK1

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 ADORA3 3127/4885TMIGD3 4522/4885LMNA 1706/4885
US-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 ADORA3 3844/4885TMIGD3 3631/4885LMNA 1516/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 ADORA3 3844/4885TMIGD3 3631/4885LMNA 1516/4885

“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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