SCHEMBL2856935

SCHEMBL2856935

COc1cccc(CNC(=O)c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
APEX1 P27695 1/20 0.52
ROCK2 O75116 10/20 0.52
ROCK1 Q13464 6/20 0.51
PRKACA P17612 3/20 0.50
PRKACG P22612 3/20 0.50
PRKACB P22694 3/20 0.50
MAPT P10636 2/20 0.49
TNIK Q9UKE5 1/20 0.49
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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 0.88 APEX1 (0.52) SMN1; SMN2APEX1ROCK2ROCK1PRKACA
SCHEMBL4334635 0.86 EGLN1 (0.39) SMN1; SMN2ROCK2ROCK1PRKACAPRKACG
SCHEMBL2867630 0.85 SMN1; SMN2 (0.51) SMN1; SMN2APEX1ROCK2ROCK1PRKACA
SCHEMBL2862654 0.85 SMN1; SMN2 (0.51) SMN1; SMN2APEX1ROCK2ROCK1PRKACA
SCHEMBL4341067 0.84 RAB9A (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4334432 0.84 MEN1 (0.45) SMN1; SMN2ROCK2ROCK1KDM4EALDH1A1
SCHEMBL4341196 0.83 MEN1 (0.49) SMN1; SMN2MAPTKDM4EUSP2ALDH1A1
SCHEMBL13635355 0.83 KDM4E (0.42) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4333025 0.83 ALDH1A1 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4348178 0.82 LMNA (0.45) MAPT

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 11 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-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

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 SMN1; SMN2 4812/4885APEX1 3004/4885ROCK2 805/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SMN1; SMN2 4781/4885APEX1 2746/4885ROCK2 1152/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SMN1; SMN2 4812/4885APEX1 3004/4885ROCK2 805/4885

“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.