SCHEMBL2858263

SCHEMBL2858263

Nc1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ADORA2A P29274 3/20 0.43
AURKA O14965 1/20 0.43
MAP2K4 P45985 3/20 0.41
TDO2 P48775 1/20 0.40
NOTUM Q6P988 1/20 0.39
FYN P06241 1/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
IDO1 P14902 1/20 0.39
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 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
SCHEMBL2861121 0.87 ADORA2A (0.43) HTR7TAAR1ADORA2AAURKAMAP2K4
SCHEMBL13636072 0.82 HTR7 (0.44) HTR7MAP2K4TDO2NOTUMIDO1
SCHEMBL2864472 0.80 IKBKB (0.43) ADORA2AAURKANOTUMADORA1KDM4E
SCHEMBL2859630 0.79 HTR7 (0.44) HTR7ADORA2AMAP2K4TDO2NOTUM
SCHEMBL2862227 0.79 ADORA2A (0.49) HTR7TAAR1ADORA2AAURKAMAP2K4
SCHEMBL2861586 0.78 MAP2K4 (0.56) HTR7MAP2K4NOTUMIDO1
SCHEMBL14516332 0.78 AURKA (0.59) HTR7TAAR1ADORA2AAURKAMAP2K4
SCHEMBL6545461 0.77 ICMT (0.45) HTR7MAP2K4NOTUMMAP4K4
SCHEMBL1593552 0.75 ADORA2A (0.46) HTR7TAAR1ADORA2AAURKAMAP2K4
SCHEMBL22889836 0.75 NTRK1 (0.44) ADORA2ATDO2ADORA1

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 7 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
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 HTR7 1191/4885TAAR1 802/4885ADORA2A 3048/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 HTR7 1607/4885TAAR1 1627/4885ADORA2A 4348/4885

“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.