SCHEMBL2861653

SCHEMBL2861653

O=C(N[C@@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.74
MAPK3 P27361 8/20 0.66
ROCK2 O75116 6/20 0.56
ROCK1 Q13464 6/20 0.56
CSNK1D P48730 1/20 0.54
TTK P33981 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
PAK4 O96013 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL2863368 0.92 MAPK1 (0.70) MAPK1MAPK3ROCK2ROCK1
SCHEMBL2867234 0.90 MAPK1 (0.61) MAPK1MAPK3ROCK2ROCK1
SCHEMBL2867666 0.89 MAPK1 (0.61) MAPK1MAPK3ROCK2ROCK1CSNK1D
SCHEMBL4335876 0.87 MAPK1 (0.56) MAPK1MAPK3ROCK2ROCK1
SCHEMBL4338629 0.85 MAPK1 (0.55) MAPK1MAPK3ROCK2ROCK1PAK4
SCHEMBL2862933 0.85 MAPK1 (0.56) MAPK1MAPK3ROCK2ROCK1CSNK1D
SCHEMBL27536329 0.85 MAPK1 (0.56) MAPK1MAPK3ROCK2ROCK1CSNK1D
SCHEMBL2859833 0.83 MAPK1 (0.54) MAPK1MAPK3CSNK1D
SCHEMBL2861578 0.83 MAPK1 (0.54) MAPK1MAPK3CSNK1DTTK
SCHEMBL2869247 0.83 MAPK1 (0.54) MAPK1MAPK3CSNK1DTTK

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
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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 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 MAPK1 1/4885MAPK3 2/4885ROCK2 805/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK1 1/4885MAPK3 3/4885ROCK2 1152/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885MAPK3 2/4885ROCK2 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.