SCHEMBL11931136

SCHEMBL11931136

O=C(Nc1cc(C2CCN(C(=O)OCc3ccccc3)CC2)nc2c(Br)cnn12)Oc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.51
▸ GRIN2B Q13224 6/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TRPC3 Q13507 2/20 0.42
▸ TRPC7 Q9HCX4 2/20 0.42
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ FAAH O00519 1/20 0.39

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
SCHEMBL11931133 0.92 GSK3B (0.49) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13998618 0.86 GSK3B (0.54) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12953929 0.86 GSK3B (0.71) GSK3BCCNE1CDK2
SCHEMBL13998619 0.84 GRIN2B (0.52) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL11936841 0.82 GSK3B (0.63) GSK3BCCNE1CDK2
SCHEMBL12953546 0.81 TRPC3 (0.53) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12954092 0.80 GSK3B (0.49) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13993128 0.79 TRPC3 (0.49) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL11931159 0.79 GRIN2B (0.47) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL14547312 0.79 TRPC3 (0.43) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4

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 334/4885GRIN2B 4679/4885CYP2D6 4363/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885GRIN2B 4679/4885CYP2D6 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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