SCHEMBL18089260

SCHEMBL18089260

O=C(Nc1cn[nH]c1-c1ccccc1)c1ccnc(Nc2ccc(CF)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.51
▸ MAPT P10636 10/20 0.51
▸ GSK3A P49840 3/20 0.51
▸ NTRK1 P04629 2/20 0.43
▸ RPS6KA2 Q15349 1/20 0.42
▸ AURKA O14965 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CGAS Q8N884 1/20 0.38
▸ SYK P43405 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
SCHEMBL16703608 0.85 GSK3B (0.70) GSK3BMAPTGSK3ANTRK1RPS6KA2
SCHEMBL18089159 0.82 GSK3B (0.75) GSK3BMAPTGSK3A
SCHEMBL18089116 0.81 GSK3B (0.51) GSK3BMAPTGSK3A
SCHEMBL18089083 0.81 GSK3B (0.54) GSK3BMAPTGSK3A
SCHEMBL18089093 0.77 GSK3B (0.50) GSK3BMAPTGSK3A
SCHEMBL18089244 0.76 GSK3B (0.54) GSK3BMAPTGSK3A
SCHEMBL18089158 0.76 KDM4C (0.47) GSK3BMAPTGSK3AAURKAAURKB
SCHEMBL18089247 0.76 GSK3B (0.53) GSK3BMAPTGSK3A
SCHEMBL18089143 0.75 GSK3B (0.59) GSK3BMAPTGSK3A
SCHEMBL18089223 0.75 GSK3B (0.64) GSK3BMAPTGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885MAPT 90/4885GSK3A 2/4885

“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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