SCHEMBL4339892

SCHEMBL4339892

Cc1cc(C(=O)N[C@H](CO)C(C)C)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 3/20 0.44
DGAT2 Q96PD7 2/20 0.42
TRPV3 Q8NET8 1/20 0.40
GABRA5 P31644 3/20 0.40
PAK4 O96013 1/20 0.39
MAPK1 P28482 4/20 0.39
MAPK3 P27361 3/20 0.39
NPR1 P16066 4/20 0.39
MAP2K4 P45985 1/20 0.38

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
SCHEMBL4335964 0.92 TRPV3 (0.42) ROCK2ROCK1DGAT2TRPV3GABRA5
SCHEMBL4339186 0.89 NTRK1 (0.41) ROCK2ROCK1DGAT2TRPV3GABRA5
SCHEMBL2859833 0.85 MAPK1 (0.54) DGAT2MAPK1MAPK3
SCHEMBL27558580 0.85 MAPK1 (0.54) DGAT2MAPK1MAPK3
SCHEMBL4334123 0.80 ROCK2 (0.43) ROCK2ROCK1MAPK1MAPK3MAP2K4
SCHEMBL4346841 0.79 ROCK1 (0.41) ROCK2ROCK1GABRA5MAPK1MAPK3
SCHEMBL4343384 0.79 MAPK1 (0.39) ROCK2ROCK1DGAT2TRPV3GABRA5
SCHEMBL2862110 0.79 MAP2K4 (0.55) MAPK1MAP2K4
SCHEMBL2860005 0.78 DYRK1A (0.48) GABRA5MAP2K4
SCHEMBL4333979 0.77 MAPT (0.43) MAPK1MAP2K4

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 6 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-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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 ROCK2 805/4885ROCK1 504/4885DGAT2 3122/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885ROCK1 504/4885DGAT2 3122/4885

“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.