SCHEMBL2864882

SCHEMBL2864882

COc1cccc(CNC(=O)c2ccc3[nH]nc(-c4cccc(F)c4)c3c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ROCK2 O75116 6/20 0.50
ROCK1 Q13464 3/20 0.50
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
MMP13 P45452 3/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2864651 0.92 APEX1 (0.52) TP53MAPTSMN1; SMN2ROCK2ROCK1
SCHEMBL2864643 0.85 SMN1; SMN2 (0.56) TP53MAPTSMN1; SMN2ROCK2ROCK1
SCHEMBL2862186 0.85 SMN1; SMN2 (0.56) TP53MAPTSMN1; SMN2ROCK2ROCK1
SCHEMBL13198231 0.82 MAPT (0.51) TP53MAPTSMN1; SMN2ROCK2ROCK1
SCHEMBL2858848 0.82 ROCK2 (0.59) MAPTSMN1; SMN2ROCK2ROCK1PRKACA
SCHEMBL4334940 0.80 MAP4K4 (0.48)
SCHEMBL4338790 0.80 RECQL (0.48) TP53ROCK2ROCK1KDM4EUSP2
SCHEMBL2868742 0.80 TTK (0.57) MAPTSMN1; SMN2ROCK2ROCK1MMP13
SCHEMBL2856935 0.80 SMN1; SMN2 (0.54) MAPTSMN1; SMN2ROCK2ROCK1PRKACA
SCHEMBL27536113 0.80 MAP2K4 (0.47)

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 9 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
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-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

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 TP53 1560/4885MAPT 2644/4885SMN1; SMN2 4812/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TP53 2280/4885MAPT 2892/4885SMN1; SMN2 4781/4885

“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.