SCHEMBL16703640

SCHEMBL16703640

CC1(c2cnncc2NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)OCCO1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.56
▸ MAPT P10636 7/20 0.56
▸ GSK3A P49840 6/20 0.56
▸ PTGS1 P23219 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL16704218 0.90 GSK3B (0.64) GSK3BMAPTGSK3A
SCHEMBL16703475 0.90 GSK3B (0.54) GSK3BMAPTGSK3APTGS1HIF1A
SCHEMBL16703461 0.89 GSK3B (0.53) GSK3BMAPTGSK3APTGS1HIF1A
SCHEMBL16703827 0.87 GSK3B (0.52) GSK3BMAPTGSK3APTGS1HIF1A
SCHEMBL16703844 0.85 GSK3B (0.51) GSK3BMAPTGSK3APTGS1HIF1A
SCHEMBL16703888 0.84 GSK3B (0.53) GSK3BMAPTGSK3AHIF1AEPAS1
SCHEMBL16703498 0.83 GSK3B (0.53) GSK3BMAPTGSK3APTGS1HIF1A
SCHEMBL16702695 0.81 GSK3B (0.63) GSK3BMAPTGSK3APTGS1TRPV1
SCHEMBL16703914 0.80 GSK3B (0.52) GSK3BMAPTGSK3APTGS1SYK
SCHEMBL16704050 0.80 GSK3B (0.53) GSK3BMAPTGSK3APTGS1HIF1A

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 1/4885MAPT 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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