SCHEMBL16945143

SCHEMBL16945143

NC(=O)/C=C/c1c[nH]c2ncc(Cc3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 12/20 0.53
▸ TAB1 Q15750 12/20 0.53
▸ GSK3B P49841 6/20 0.42
▸ CDC7 O00311 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ LCK P06239 1/20 0.38

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
SCHEMBL18238627 1.00 MAP3K7 (0.53) MAP3K7TAB1GSK3BCDC7PLK4
SCHEMBL18238269 0.89 MAP3K7 (0.46) MAP3K7TAB1GSK3BNTRK1
SCHEMBL16945189 0.89 MAP3K7 (0.46) MAP3K7TAB1GSK3BNTRK1
SCHEMBL18250498 0.88 GSK3B (0.42) MAP3K7TAB1GSK3BAXLMET
SCHEMBL1714507 0.82 KMT2A (0.51) GSK3BPLK4AURKAROCK2PRKD3
SCHEMBL16932960 0.82 GSK3B (0.56) MAP3K7TAB1GSK3BCDC7PLK4
SCHEMBL16932959 0.82 GSK3B (0.56) MAP3K7TAB1GSK3BCDC7PLK4
SCHEMBL4346709 0.81 MAP3K7 (0.48) MAP3K7TAB1AURKAROCK2NTRK1
SCHEMBL4346713 0.81 MAP3K7 (0.48) MAP3K7TAB1AURKAROCK2NTRK1
SCHEMBL16945147 0.81 MAP3K7 (0.46) MAP3K7TAB1GSK3BNTRK1

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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