SCHEMBL14050811

SCHEMBL14050811

COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.51
▸ PIK3CD O00329 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ CHEK1 O14757 7/20 0.43
▸ CCNA2 P20248 6/20 0.43
▸ CDK2 P24941 6/20 0.43
▸ CCNA1 P78396 6/20 0.43
▸ RPS6KA4 O75676 1/20 0.42
▸ STK10 O94804 1/20 0.42
▸ LATS1 O95835 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ TGFBR2 P37173 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PSMC4 P43686 1/20 0.42

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
SCHEMBL14545858 0.91 CHEK1 (0.46) PIK3CAPIK3CDCHEK1CCNA2CDK2
SCHEMBL14051086 0.88 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL14050810 0.86 CHEK1 (0.59) PIK3CDGPR119CHEK1CCNA2CDK2
SCHEMBL14051066 0.86 CHEK1 (0.61) GPR119CHEK1CCNA2CDK2CCNA1
SCHEMBL11931273 0.85 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL15146164 0.85 CHEK1 (0.48) PIK3CACHEK1CCNA2CDK2CCNA1
SCHEMBL15381275 0.85 CHEK1 (0.47) PIK3CDCHEK1CCNA2CDK2CCNA1
SCHEMBL14413595 0.85 CHEK1 (0.46) GPR119CHEK1CCNA2CDK2CCNA1
SCHEMBL14413576 0.84 PIK3CA (0.56) PIK3CAPIK3CDGPR119CHEK1CCNA2
SCHEMBL14050813 0.83 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1RPS6KA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 — — EP disclosed
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
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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
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 PIK3CA 117/4885PIK3CD 210/4885GPR119 2345/4885

“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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