SCHEMBL16702324

SCHEMBL16702324

O=C(Nc1cncc(Br)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.59
▸ MAPT P10636 8/20 0.59
▸ GSK3A P49840 2/20 0.59
▸ PRKAB2 O43741 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAG3 Q9UGI9 1/20 0.52
▸ PRKAG2 Q9UGJ0 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ PTGS1 P23219 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ ROCK2 O75116 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 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
SCHEMBL16702888 0.87 GSK3B (0.63) GSK3BMAPTGSK3APTGS1PTGES
SCHEMBL18086925 0.84 NPC1 (0.61) GSK3BMAPTGSK3AROCK2ALDH1A1
SCHEMBL16702413 0.82 MAPT (0.60) GSK3BMAPTGSK3APTGS1PTGES
SCHEMBL16703519 0.82 GSK3B (0.65) GSK3BMAPTGSK3APTGES
SCHEMBL16702326 0.82 MAPT (0.44) GSK3BMAPTGSK3AROCK2ALDH1A1
SCHEMBL16702216 0.82 GSK3B (0.67) GSK3BMAPTGSK3APTGS1PTGES
SCHEMBL16703139 0.82 GSK3B (0.67) GSK3BMAPTGSK3APRKAB2PRKAG1
SCHEMBL16702254 0.81 GSK3B (0.62) GSK3BMAPTGSK3A
SCHEMBL16702442 0.81 GSK3B (0.65) GSK3BMAPTGSK3A
SCHEMBL16703537 0.81 GSK3B (0.52) GSK3BMAPTGSK3APTGS1PTGES

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 11 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-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.

Send feedback