SCHEMBL2860787

SCHEMBL2860787

Nc1ccc2c(c(-c3cccc(F)c3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.39
ADORA2A P29274 4/20 0.39
ADORA2B P29275 2/20 0.39
DPP4 P27487 1/20 0.36
ACHE P22303 1/20 0.35
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CSNK1E P49674 1/20 0.33
CHUK O15111 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ABL1 P00519 2/20 0.31
SRC P12931 2/20 0.31

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
SCHEMBL2867613 0.89 ADORA2A (0.39) ADORA1ADORA2AADORA2BDPP4ACHE
SCHEMBL2860785 0.85 CSNK1E (0.40) ADORA1ADORA2AADORA2BPTGER1CSNK1E
SCHEMBL2861498 0.84 FYN (0.36) ADORA1ADORA2AADORA2BDPP4ACHE
SCHEMBL2861149 0.80 ADORA1 (0.34) ADORA1ADORA2APTGER1KDM4ECSNK1E
SCHEMBL2860001 0.78 ADORA2A (0.42) ADORA1ADORA2AADORA2BDPP4ACHE
SCHEMBL27536146 0.78 CSNK1E (0.34) PTGER1CSNK1E
SCHEMBL4335967 0.78 ADORA3 (0.42) ADORA1ADORA2AADORA2BKDM4ERXFP1
SCHEMBL8886702 0.77 ADORA2A (0.40) ADORA1ADORA2AADORA2BDPP4PTGER1
SCHEMBL2872658 0.77 ADORA2A (0.41) ADORA1ADORA2AADORA2BDPP4ACHE
SCHEMBL4137268 0.77 DPP4 (0.42) ADORA1ADORA2AADORA2BDPP4ACHE

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 8 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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (3 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 ADORA1 1820/4885ADORA2A 3048/4885ADORA2B 3602/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ADORA1 2921/4885ADORA2A 4348/4885ADORA2B 4432/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA1 1820/4885ADORA2A 3048/4885ADORA2B 3602/4885

“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.