SCHEMBL16948919

SCHEMBL16948919

NC(=O)/C=C/c1c[nH]c2ncc(Oc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 11/20 0.60
▸ TAB1 Q15750 11/20 0.60
▸ CAMKK2 Q96RR4 3/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ AXL P30530 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
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 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
SCHEMBL18238403 1.00 MAP3K7 (0.60) MAP3K7TAB1CAMKK2MEN1NPC1
SCHEMBL18238700 0.89 MAP3K7 (0.56) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL16945244 0.89 MAP3K7 (0.56) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL18238686 0.87 MAP3K7 (0.54) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL16945263 0.87 MAP3K7 (0.54) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL16945221 0.84 MAP3K7 (0.53) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL18238809 0.84 MAP3K7 (0.53) MAP3K7TAB1CAMKK2AXLCDC7
SCHEMBL4348312 0.83 PRKD3 (0.56) MAP3K7TAB1MEN1NPC1RAB9A
SCHEMBL4348302 0.83 PRKD3 (0.56) MAP3K7TAB1MEN1NPC1RAB9A
SCHEMBL16932960 0.82 GSK3B (0.56) MAP3K7TAB1CAMKK2AXLCDC7

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 MAP3K7 152/4885TAB1 861/4885CAMKK2 1988/4885

“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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