SCHEMBL14413682

SCHEMBL14413682

CC(C)(C)OC(=O)Nc1cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)nc2c(Br)cnn12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.45
▸ GSK3B P49841 3/20 0.45
▸ MAPKAPK2 P49137 1/20 0.42
▸ TYK2 P29597 7/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ RET P07949 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MERTK Q12866 1/20 0.38

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
SCHEMBL14413684 1.00 CDK2 (0.45) CDK2GSK3BMAPKAPK2TYK2CSNK2B
SCHEMBL14413663 0.89 GSK3B (0.42) CDK2GSK3BMAPKAPK2TYK2CSNK2B
SCHEMBL14051006 0.87 PIM1 (0.43) CDK2GSK3BMAPKAPK2TYK2CSNK2B
SCHEMBL14051004 0.87 PIM1 (0.43) CDK2GSK3BMAPKAPK2TYK2CSNK2B
SCHEMBL14413674 0.85 CKS1B (0.51) CDK2CKS1BSKP1SKP2RET
SCHEMBL14413680 0.82 PDE10A (0.41) CDK2CKS1BSKP1SKP2NTRK1
SCHEMBL14413671 0.81 SUV39H2 (0.48) CKS1BSKP1SKP2
SCHEMBL14050999 0.81 SUV39H2 (0.48) CKS1BSKP1SKP2
SCHEMBL14413650 0.79 GSK3B (0.40) CDK2GSK3BMAPKAPK2
SCHEMBL14050864 0.76 PRMT5 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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 (1 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 CDK2 1/4885GSK3B 749/4885MAPKAPK2 196/4885

“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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