SCHEMBL16702005

SCHEMBL16702005

C=CCOc1ccc(-c2cnncc2NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.61
▸ GSK3A P49840 9/20 0.61
▸ MAPT P10636 3/20 0.61
▸ CHRNB2 P17787 4/20 0.43
▸ CHRNB4 P30926 4/20 0.43
▸ CHRNA3 P32297 4/20 0.43
▸ CHRNA4 P43681 4/20 0.43
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL18089163 0.88 GSK3B (0.45) GSK3BGSK3AMAPTCHRNB2CHRNB4
SCHEMBL16702438 0.85 GSK3B (0.81) GSK3BGSK3AMAPTTRPV1PTGS1
SCHEMBL16702695 0.78 GSK3B (0.63) GSK3BGSK3AMAPTTRPV1PTGS1
SCHEMBL19417956 0.77 MAPT (0.44) GSK3BGSK3AMAPTCHRNB2CHRNB4
SCHEMBL16702630 0.77 GSK3B (0.84) GSK3BGSK3AMAPT
SCHEMBL19186079 0.76 GSK3B (0.59) GSK3BGSK3AMAPTTRPV1PTGS1
SCHEMBL16712894 0.76 GSK3B (0.83) GSK3BGSK3AMAPT
SCHEMBL16702716 0.76 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16702692 0.75 GSK3B (0.78) GSK3BGSK3AMAPTTRPV1
SCHEMBL16702502 0.74 GSK3B (0.77) GSK3BGSK3AMAPTTRPV1

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 12 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
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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