SCHEMBL16702586

SCHEMBL16702586

O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(Nc2ccc(Cl)cn2)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.71
▸ GSK3A P49840 11/20 0.71
▸ MAPT P10636 7/20 0.67
▸ ATR Q13535 1/20 0.51
▸ BRAF P15056 1/20 0.49

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
SCHEMBL16702429 0.90 GSK3B (0.81) GSK3BGSK3AMAPT
SCHEMBL18089215 0.88 GSK3B (0.70) GSK3BGSK3AMAPT
SCHEMBL16702562 0.88 GSK3B (0.55) GSK3BGSK3AMAPTATRBRAF
SCHEMBL16703203 0.86 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16702510 0.84 GSK3B (0.71) GSK3BGSK3AMAPT
SCHEMBL16702111 0.84 GSK3B (0.64) GSK3BGSK3AMAPT
SCHEMBL21478491 0.83 GSK3B (0.73) GSK3BGSK3AMAPTATR
SCHEMBL16702397 0.83 GSK3B (0.68) GSK3BGSK3AMAPTATR
SCHEMBL19417865 0.83 GSK3B (0.63) GSK3BGSK3AMAPT
SCHEMBL16702906 0.81 GSK3B (0.68) 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 2/4885MAPT 90/4885

“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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