SCHEMBL11930867

SCHEMBL11930867

Nc1cc(C2CCCNC2)nc2c(Br)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 1.00
▸ CCNA2 P20248 16/20 1.00
▸ CDK2 P24941 16/20 1.00
▸ CCNA1 P78396 16/20 1.00
▸ GSK3B P49841 1/20 0.56

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
SCHEMBL16784486 0.86 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL11938368 0.85 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1
SCHEMBL14541357 0.85 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL14542953 0.85 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL11930870 0.85 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL12953557 0.84 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL16784421 0.82 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784472 0.81 CHEK1 (0.69) CHEK1CCNA2CDK2CCNA1
SCHEMBL12473347 0.81 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930775 0.81 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069349-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-06-15 — — EP disclosed
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-8440443-B1 MEK1 polypeptides MERCK SHARP & DOHME CORP. (US) 2013-05-14 — — US 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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