SCHEMBL16945189

SCHEMBL16945189

NC(=O)/C=C/c1c[nH]c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 12/20 0.46
▸ TAB1 Q15750 12/20 0.46
▸ GSK3B P49841 1/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ CLK1 P49759 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ NTRK1 P04629 2/20 0.36
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL18238269 1.00 MAP3K7 (0.46) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL18250523 0.89 GSK3B (0.41) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL16945143 0.89 MAP3K7 (0.53) MAP3K7TAB1GSK3BNTRK1
SCHEMBL18238627 0.89 MAP3K7 (0.53) MAP3K7TAB1GSK3BNTRK1
SCHEMBL18238751 0.87 MAP3K7 (0.46) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL16945147 0.87 MAP3K7 (0.46) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL24197757 0.82 MAP3K7 (0.46) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL16945246 0.81 MAP3K7 (0.42) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL18238538 0.81 MAP3K7 (0.42) MAP3K7TAB1GSK3BTDO2CLK1
SCHEMBL16945239 0.78 MAP3K7 (0.44) MAP3K7TAB1GSK3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — US disclosed
WO-2015112854-A1 SUBSTITUTED PYROOLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES CONFLUENCE LIFE SCIENCES, INC. (US) 2015-07-30 — — 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 MAP3K7 152/4885TAB1 861/4885GSK3B 4638/4885

“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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