SCHEMBL2864679

SCHEMBL2864679

NC(=O)n1nc(-c2ccc3ccccc3c2)c2c[c]c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.42
RIPK2 O43353 1/20 0.42
DHODH Q02127 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PRKDC P78527 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LIPE Q05469 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAP3K14 Q99558 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL2861524 0.79 IKBKB (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4149161 0.78 RELA (0.35) MEN1KMT2ANPC1RAB9A
SCHEMBL2864469 0.77 SRC (0.42) SRCRIPK2DHODHPIK3CDPIK3CA
SCHEMBL2863191 0.77 SRC (0.42) SRCRIPK2DHODHPIK3CDPIK3CA
SCHEMBL4145178 0.72 SRC (0.44) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2871125 0.70 SRC (0.43) SRCRIPK2PIK3CDPIK3CAPIK3CB
SCHEMBL2864915 0.70 TRPA1 (0.36) RIPK2DHODHMAP3K14TUBB4ATUBB
SCHEMBL4142170 0.70 NFE2L2 (0.36) KMT2ANPC1RAB9A
SCHEMBL4157698 0.67 NFE2L2 (0.39) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4141007 0.65 NFE2L2 (0.33) CA1CA2CA9

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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (2 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SRC 261/4885RIPK2 382/4885DHODH 4329/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SRC 258/4885RIPK2 826/4885DHODH 3251/4885

“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.