SCHEMBL16945147

SCHEMBL16945147

NC(=O)/C=C/c1c[nH]c2ncc(Cc3ccc(F)cc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 11/20 0.46
▸ TAB1 Q15750 11/20 0.46
▸ TDO2 P48775 1/20 0.40
▸ NTRK1 P04629 3/20 0.39
▸ GSK3B P49841 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL18238751 1.00 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL18250526 0.90 TDO2 (0.40) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16945189 0.87 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL18238269 0.87 MAP3K7 (0.46) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16932992 0.81 AXL (0.44) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16932991 0.81 AXL (0.44) MAP3K7TAB1TDO2NTRK1GSK3B
SCHEMBL16945143 0.81 MAP3K7 (0.53) MAP3K7TAB1NTRK1GSK3B
SCHEMBL18238627 0.81 MAP3K7 (0.53) MAP3K7TAB1NTRK1GSK3B
SCHEMBL24197757 0.79 MAP3K7 (0.46) MAP3K7TAB1TDO2GSK3BCLK1
SCHEMBL18250523 0.77 GSK3B (0.41) MAP3K7TAB1TDO2NTRK1GSK3B

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 861/4885TDO2 1934/4885

“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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