SCHEMBL11931133

SCHEMBL11931133

O=C(Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(Br)cnn12)Oc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.49
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ CCNE1 P24864 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 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
SCHEMBL11931136 0.92 GSK3B (0.51) GSK3BCYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL12954179 0.87 GSK3B (0.67) GSK3BCCNE1CDK2
SCHEMBL13998621 0.87 GSK3B (0.52) GSK3BCYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL13998622 0.85 GSK3B (0.48) GSK3BCYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL12953232 0.82 TRPC3 (0.44) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953762 0.81 GSK3B (0.51) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953255 0.80 CHEK1 (0.48) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL11931160 0.80 USP30 (0.45) GSK3BCYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL14547159 0.80 GSK3B (0.40) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953558 0.79 GSK3B (0.50) GSK3BJAK2JAK1TYK2JAK3

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
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-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
US-7468372-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-23 — — 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 GSK3B 334/4885CYP3A4 4313/4885CYP2D6 4363/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CYP3A4 4313/4885CYP2D6 4363/4885

“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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