SCHEMBL16702543

SCHEMBL16702543

COc1ccc(-c2ccncc2NC(=O)c2ccnc(Cl)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.56
▸ GSK3A P49840 15/20 0.56
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16702830 0.86 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16702907 0.83 GSK3B (0.78) GSK3BGSK3AMAPT
SCHEMBL16702849 0.82 GSK3B (0.56) GSK3BGSK3AMAPT
SCHEMBL16704213 0.81 GSK3B (0.65) GSK3BGSK3AMAPTPOLB
SCHEMBL16702011 0.80 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL18089212 0.80 GSK3B (0.51) GSK3BGSK3AMAPT
SCHEMBL19849337 0.78 RPS6KA3 (0.39) GSK3BGSK3A
SCHEMBL16703316 0.78 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL16702218 0.77 GSK3B (0.70) GSK3BGSK3AMAPT
SCHEMBL16702417 0.75 GSK3B (0.70) GSK3BGSK3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO 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 1/4885GSK3A 2/4885KDM4E 2680/4885

“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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