SCHEMBL16949002

SCHEMBL16949002

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.42
▸ AXL P30530 6/20 0.40
▸ MAP3K7 O43318 1/20 0.40
▸ TAB1 Q15750 1/20 0.40
▸ MAP3K11 Q16584 1/20 0.39
▸ DYRK1A Q13627 5/20 0.39
▸ CLK1 P49759 3/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ ITK Q08881 2/20 0.38
▸ 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

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
SCHEMBL18238690 1.00 AAK1 (0.42) AAK1AXLMAP3K7TAB1MAP3K11
SCHEMBL18238284 0.92 ITK (0.41) AXLMAP3K7TAB1MAP3K11DYRK1A
SCHEMBL18250476 0.92 AXL (0.39) AAK1AXLMAP3K7TAB1MAP3K11
SCHEMBL16948748 0.92 ITK (0.41) AXLMAP3K7TAB1MAP3K11DYRK1A
SCHEMBL16949409 0.92 AXL (0.47) AAK1AXLMAP3K7TAB1DYRK1A
SCHEMBL18238648 0.92 AXL (0.47) AAK1AXLMAP3K7TAB1DYRK1A
SCHEMBL16949120 0.91 AXL (0.42) AAK1AXLMAP3K7TAB1MAP3K11
SCHEMBL18238802 0.91 AXL (0.42) AAK1AXLMAP3K7TAB1MAP3K11
SCHEMBL16949001 0.91 BRD4 (0.47) AAK1AXLMAP3K7TAB1MAP3K11
SCHEMBL18238334 0.91 BRD4 (0.47) AAK1AXLMAP3K7TAB1MAP3K11

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 AAK1 2013/4885AXL 4400/4885MAP3K7 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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