SCHEMBL14050909

SCHEMBL14050909

Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(/C=C/c3ccccc3)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TRPC3 Q13507 2/20 0.38
▸ TRPC7 Q9HCX4 2/20 0.38
▸ ENPP2 Q13822 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BCL9 O00512 4/20 0.38
▸ CTNNB1 P35222 4/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ DHFR P00374 1/20 0.37

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
SCHEMBL14050866 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3USP30
SCHEMBL14050873 0.87 JAK2 (0.38) JAK2JAK1TYK2JAK3USP30
SCHEMBL13901490 0.86 JAK2 (0.44) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL12953255 0.86 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL13305223 0.86 TRPC3 (0.44) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL13305009 0.86 USP30 (0.45) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL14050867 0.79 JAK2 (0.41) JAK2JAK1TYK2JAK3USP30
SCHEMBL13901233 0.77 JAK2 (0.46) JAK2JAK1TYK2JAK3USP30
SCHEMBL13993128 0.76 TRPC3 (0.49) CHEK1CCNA2CDK2CCNA1USP30
SCHEMBL13901487 0.76 TRPC3 (0.49) JAK2JAK1TYK2JAK3USP30

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
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
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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO 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 CHEK1 58/4885CCNA2 29/4885CDK2 1/4885

“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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