SCHEMBL2867589

SCHEMBL2867589

COc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.53
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
ROCK2 O75116 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK1D P48730 1/20 0.45
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.44
NTRK1 P04629 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
AURKA O14965 1/20 0.43
MMP13 P45452 1/20 0.43
CHRM3 P20309 1/20 0.43
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL2862635 0.84 DGAT2 (0.56) DGAT2GAAHPGDROCK2NPC1
SCHEMBL2872610 0.83 DGAT2 (0.56) DGAT2GAAHPGDROCK2NPC1
SCHEMBL2868742 0.83 TTK (0.57) DGAT2GAAROCK2CSNK1DMAPT
SCHEMBL2864651 0.82 APEX1 (0.52) HPGDROCK2MAPTUSP2ALDH1A1
SCHEMBL13198231 0.78 MAPT (0.51) ROCK2CSNK1DMAPTAURKAMMP13
SCHEMBL2864882 0.78 TP53 (0.53) HPGDROCK2MAPTUSP2ALDH1A1
SCHEMBL2858848 0.78 ROCK2 (0.59) HPGDROCK2MAPTAURKAMMP13
SCHEMBL2863001 0.77 NTRK1 (0.56) DGAT2GAAHPGDROCK2CSNK1D
SCHEMBL2864166 0.77 NTRK1 (0.49) NTRK1LRRK2
SCHEMBL13198273 0.75 DGAT2 (0.50) DGAT2ROCK2CSNK1DNTRK1

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 13 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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
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-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US 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 DGAT2 3122/4885GAA 4805/4885HPGD 1817/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 DGAT2 3665/4885GAA 4628/4885HPGD 1866/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 DGAT2 3122/4885GAA 4805/4885HPGD 1817/4885

“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.