SCHEMBL11930870

SCHEMBL11930870

Nc1cc(C2CCNCC2)nc2c(Br)cnn12

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.73
▸ CCNA2 P20248 14/20 0.73
▸ CDK2 P24941 14/20 0.73
▸ CCNA1 P78396 14/20 0.73
▸ GSK3B P49841 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.46
▸ PLAT P00750 1/20 0.45

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
SCHEMBL12953557 0.86 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL11930867 0.85 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL12953560 0.84 CHEK1 (0.62) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL11930869 0.83 CHEK1 (0.61) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL2679445 0.77 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL13998492 0.76 GSK3B (0.64) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL12954291 0.75 GSK3B (0.63) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL11930884 0.74 CDK2 (0.61) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL13893782 0.74 GSK3B (0.57) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL11930813 0.74 CDK2 (0.51) CHEK1CCNA2CDK2CCNA1HRH4

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 8 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
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 (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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885

“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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