SCHEMBL16945253

SCHEMBL16945253

Cc1cc(C)cc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 10/20 0.42
▸ TAB1 Q15750 10/20 0.42
▸ ITK Q08881 4/20 0.40
▸ AXL P30530 3/20 0.40
▸ NTRK1 P04629 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL16945224 0.92 ITK (0.39) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL18250455 0.92 AXL (0.42) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL16945255 0.90 KIT (0.45) MAP3K7TAB1AXLNTRK1DYRK1A
SCHEMBL18238418 0.90 MAP3K7 (0.42) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL18250456 0.90 MAP3K7 (0.42) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL16945226 0.90 MAP3K7 (0.42) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL16945220 0.89 PLCG1 (0.43) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL18250452 0.89 SGK1 (0.40) MAP3K7TAB1AXLNTRK1PIM1
SCHEMBL18239020 0.89 PLCG1 (0.43) MAP3K7TAB1ITKAXLNTRK1
SCHEMBL16945148 0.89 KIT (0.49) MAP3K7TAB1ITKAXLNTRK1

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 2 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — US 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 861/4885ITK 1447/4885

“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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