SCHEMBL5534076

SCHEMBL5534076

Cn1nc(-c2c[nH]c(C(=O)O)c2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
MAP2K4 P45985 2/20 0.42
NAMPT P43490 4/20 0.41
SCN5A Q14524 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
CCR2 P41597 3/20 0.40
KCNH2 Q12809 3/20 0.40
MAPK1 P28482 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
PTGER1 P34995 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL14570454 0.81 MAPT (0.50) SCN9ANAMPTSCN5AMAPK1MAPT
SCHEMBL5420530 0.78 ALDH1A1 (0.59) SCN9AMAP2K4SCN5APTGER1CYP1A2
SCHEMBL5532950 0.76 MAP2K4 (0.67) MAP2K4MAPK1MAPKAPK3MAPK6CYP1A2
SCHEMBL4030717 0.75 MAPK1 (0.53) SCN9AMAP2K4NAMPTSCN5AKCNH2
SCHEMBL4026271 0.73 SCN9A (0.46) SCN9AMAP2K4NAMPTSCN5ACCR2
SCHEMBL14737399 0.72 SYK (0.59) KCNH2CYP2C9
SCHEMBL13175598 0.72 NOTUM (0.63)
SCHEMBL2634122 0.69 CCR2 (0.61) CCR2KCNH2
SCHEMBL2134748 0.67 SCN9A (0.45) SCN9AMAP2K4KDM4CMAPK1MAPK6
SCHEMBL5418980 0.67 ALDH1A1 (0.63) SCN9ASCN5APTGER1CYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP claimed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US claimed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 WO claimed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 SCN9A 3695/4885MAP2K4 286/4885NAMPT 2663/4885

“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.