SCHEMBL16702497

SCHEMBL16702497

CC(C)(C#N)c1ccc(Nc2cc(C(=O)Nc3cncc(-c4ccccc4F)c3)ccn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.61
▸ GSK3B P49841 16/20 0.61
▸ GSK3A P49840 1/20 0.49
▸ BRAF P15056 3/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ CYP2C9 P11712 2/20 0.42

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
SCHEMBL16703519 0.88 GSK3B (0.65) MAPTGSK3BGSK3A
SCHEMBL16702449 0.86 GSK3B (0.64) MAPTGSK3BGSK3A
SCHEMBL16702221 0.85 MAPT (0.69) MAPTGSK3BGSK3A
SCHEMBL16702887 0.84 GSK3B (0.69) MAPTGSK3BGSK3A
SCHEMBL16702394 0.84 GSK3B (0.68) MAPTGSK3BGSK3A
SCHEMBL19417919 0.83 GSK3B (0.67) MAPTGSK3BGSK3A
SCHEMBL16702175 0.82 MAPT (0.66) MAPTGSK3BGSK3A
SCHEMBL16702540 0.82 GSK3B (0.61) MAPTGSK3BGSK3ABRAF
SCHEMBL16702129 0.82 GSK3B (0.66) MAPTGSK3BGSK3A
SCHEMBL16702894 0.82 GSK3B (0.73) MAPTGSK3BGSK3A

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 MAPT 90/4885GSK3B 1/4885GSK3A 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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