SCHEMBL11931290

SCHEMBL11931290

Cc1c(N2CC[C@H](N)C2)nc2c(Br)cnn2c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ HRH4 Q9H3N8 12/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ MATK P42679 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAPKAPK3 Q16644 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MBOAT4 Q96T53 1/20 0.33

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
SCHEMBL14539667 0.88 SMPD3 (0.41) ABL1KDRHRH4CHEK1CCNA2
SCHEMBL11930847 0.88 ABL1 (0.38) ABL1KDRHRH4HRH3CHEK1
SCHEMBL11930846 0.88 ABL1 (0.38) ABL1KDRHRH4HRH3CHEK1
SCHEMBL11930848 0.85 HRH4 (0.38) AKT1ABL1KDRHRH4HRH3
SCHEMBL11930843 0.85 HRH4 (0.38) AKT1ABL1KDRHRH4HRH3
SCHEMBL11931211 0.85 HRH4 (0.41) AKT1ABL1KDRHRH4HRH3
SCHEMBL14539517 0.82 KDR (0.38) ABL1KDRCHEK1CCNA2CDK2
SCHEMBL11931212 0.81 CDK2 (0.44) ABL1KDRHRH4CHEK1CCNA2
SCHEMBL15393810 0.81 AKT1 (0.39) AKT1HRH4HRH3CHEK1CCNA2
SCHEMBL15393817 0.81 AKT1 (0.39) AKT1HRH4HRH3CHEK1CCNA2

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
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
EP-1931676-B1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORP (US) 2011-11-16 — — EP disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 — — US disclosed
US-7776865-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2010-08-17 — — 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
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
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2007-04-12 — — US disclosed
WO-2007041712-A1 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-12 — — 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 (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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 AKT1 236/4885ABL1 88/4885KDR 2086/4885
US-20070083044-A1 Pyrazolopyrimidines as protein kinase inhibitors CHEK1, CHEK2, BUB1 AKT1 470/4885ABL1 122/4885KDR 1715/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 AKT1 236/4885ABL1 88/4885KDR 2086/4885

“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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