SCHEMBL16948748

SCHEMBL16948748

NC(=O)/C=C/c1c[nH]c2ncc(-c3cnc(C(=O)c4ccc(Cl)cc4)c(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.41
▸ BTK Q06187 4/20 0.41
▸ PAK1 Q13153 1/20 0.40
▸ BRAF P15056 4/20 0.39
▸ AXL P30530 6/20 0.39
▸ EGFR P00533 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ NEK2 P51955 2/20 0.38
▸ PTK6 Q13882 2/20 0.38
▸ MAP4K5 Q9Y4K4 2/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ RET P07949 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ARAF P10398 1/20 0.38
▸ CHRM1 P11229 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
SCHEMBL18238284 1.00 ITK (0.41) ITKBTKPAK1BRAFAXL
SCHEMBL18238690 0.92 AAK1 (0.42) ITKBTKAXLEGFRKDR
SCHEMBL16949002 0.92 AAK1 (0.42) ITKBTKAXLEGFRKDR
SCHEMBL18238802 0.91 AXL (0.42) ITKBTKAXLEGFRKDR
SCHEMBL16949120 0.91 AXL (0.42) ITKBTKAXLEGFRKDR
SCHEMBL18250476 0.91 AXL (0.39) ITKBTKAXLEGFRKDR
SCHEMBL16949409 0.90 AXL (0.47) ITKAXLEGFRKDRNEK2
SCHEMBL18238648 0.90 AXL (0.47) ITKAXLEGFRKDRNEK2
SCHEMBL16949003 0.90 AXL (0.38) ITKBTKAXLEGFRKDR
SCHEMBL18239059 0.90 AXL (0.38) ITKBTKAXLEGFRKDR

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 4 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

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 ITK 1447/4885BTK 579/4885PAK1 2708/4885

“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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