SCHEMBL16702216

SCHEMBL16702216

O=C(Nc1cnccn1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.67
▸ GSK3A P49840 4/20 0.67
▸ MAPT P10636 3/20 0.67
▸ TSHR P16473 2/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ CASP1 P29466 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ NPC1 O15118 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PTGS1 P23219 3/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ DYRK3 O43781 2/20 0.49
▸ PRKD3 O94806 2/20 0.49
▸ MAP4K4 O95819 2/20 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
SCHEMBL16702888 0.85 GSK3B (0.63) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16702551 0.82 GSK3B (0.70) GSK3BGSK3AMAPTRAB9APTGS1
SCHEMBL16702413 0.82 MAPT (0.60) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16702324 0.82 GSK3B (0.59) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16703139 0.82 GSK3B (0.67) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16702135 0.82 GSK3A (0.61) GSK3BGSK3AMAPTNPC1RAB9A
SCHEMBL19417949 0.81 GSK3B (0.69) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16702348 0.81 GSK3B (0.61) GSK3BGSK3AMAPTTSHRALOX15
SCHEMBL16712894 0.81 GSK3B (0.83) GSK3BGSK3AMAPT
SCHEMBL16702816 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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