SCHEMBL16945220

SCHEMBL16945220

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.43
▸ BRD4 O60885 2/20 0.42
▸ MAP3K7 O43318 9/20 0.42
▸ TAB1 Q15750 9/20 0.42
▸ RIPK1 Q13546 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ CDK2 P24941 3/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ SGK1 O00141 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RPS6KA5 O75582 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
SCHEMBL18239020 1.00 PLCG1 (0.43) PLCG1BRD4MAP3K7TAB1RIPK1
SCHEMBL18238897 0.93 MAP3K7 (0.46) PLCG1BRD4MAP3K7TAB1RIPK1
SCHEMBL16946571 0.93 MAP3K7 (0.46) PLCG1BRD4MAP3K7TAB1RIPK1
SCHEMBL18238418 0.91 MAP3K7 (0.42) BRD4MAP3K7TAB1AAK1CDK2
SCHEMBL16945226 0.91 MAP3K7 (0.42) BRD4MAP3K7TAB1AAK1CDK2
SCHEMBL18250511 0.91 PLCG1 (0.43) PLCG1BRD4RIPK1AAK1CDK2
SCHEMBL16945253 0.89 MAP3K7 (0.42) MAP3K7TAB1AAK1CDK2CDC7
SCHEMBL16949114 0.89 PLCG1 (0.42) PLCG1BRD4MAP3K7TAB1RIPK1
SCHEMBL18238132 0.89 PLCG1 (0.42) PLCG1BRD4MAP3K7TAB1RIPK1
SCHEMBL18238589 0.89 MAP3K7 (0.43) PLCG1BRD4MAP3K7TAB1RIPK1

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 PLCG1 2984/4885BRD4 42/4885MAP3K7 152/4885

“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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