SCHEMBL16945246

SCHEMBL16945246

NC(=O)/C=C/c1c[nH]c2ncc(C(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 11/20 0.42
▸ TAB1 Q15750 11/20 0.42
▸ TDO2 P48775 1/20 0.41
▸ TTBK1 Q5TCY1 1/20 0.41
▸ TTBK2 Q6IQ55 1/20 0.41
▸ CLK1 P49759 3/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL18238538 1.00 MAP3K7 (0.42) MAP3K7TAB1TDO2TTBK1TTBK2
SCHEMBL18250576 0.89 TDO2 (0.41) MAP3K7TAB1TDO2TTBK1TTBK2
SCHEMBL18238325 0.88 MAP3K7 (0.47) MAP3K7TAB1TTBK1TTBK2DYRK1A
SCHEMBL16945216 0.88 MAP3K7 (0.47) MAP3K7TAB1TTBK1TTBK2DYRK1A
SCHEMBL16949002 0.84 AAK1 (0.42) MAP3K7TAB1TDO2CLK1DYRK1A
SCHEMBL18238690 0.84 AAK1 (0.42) MAP3K7TAB1TDO2CLK1DYRK1A
SCHEMBL16945259 0.84 AXL (0.47) MAP3K7TAB1CLK1DYRK1AAAK1
SCHEMBL18238180 0.84 AXL (0.47) MAP3K7TAB1CLK1DYRK1AAAK1
SCHEMBL24197757 0.83 MAP3K7 (0.46) MAP3K7TAB1TDO2CLK1DYRK1A
SCHEMBL18238234 0.83 AXL (0.46) MAP3K7TAB1CLK1DYRK1AAAK1

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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