SCHEMBL16703839

SCHEMBL16703839

CCC1(c2cc(Cl)ncc2NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)OCCO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.51
▸ GSK3A P49840 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SCN9A Q15858 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ KCNQ3 O43525 2/20 0.35
▸ KCNQ2 O43526 2/20 0.35
▸ KCNE1 P15382 2/20 0.35
▸ KCNQ1 P51787 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PTGES O14684 1/20 0.35

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
SCHEMBL16703951 0.94 GSK3B (0.50) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL16703649 0.90 GSK3B (0.51) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL16704253 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL16703626 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL16703835 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL16704060 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL19417887 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL19417889 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL19417882 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1
SCHEMBL19417880 0.89 GSK3B (0.48) GSK3BGSK3AMAPTHIF1AEPAS1

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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