SCHEMBL4346841

SCHEMBL4346841

CC(C)C[C@@H](CO)NC(=O)c1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.41
ROCK2 O75116 5/20 0.41
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 4/20 0.39
MAPK3 P27361 3/20 0.39
CTSL P07711 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GABRA5 P31644 2/20 0.38
CNR1 P21554 3/20 0.37
MAP2K4 P45985 1/20 0.36

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
SCHEMBL4334123 0.92 ROCK2 (0.43) ROCK1ROCK2MAPK1MAPK3MAP2K4
SCHEMBL4327408 0.87 HDAC4 (0.42) HDAC4HDAC6MAPK1MAPK3TAS1R3
SCHEMBL4335964 0.87 TRPV3 (0.42) ROCK1ROCK2MAPK1MAPK3GABRA5
SCHEMBL4341423 0.86 ROCK1 (0.39) ROCK1ROCK2MAPK1MAPK3MAP2K4
SCHEMBL2866982 0.86 MAPK1 (0.52) MAPK1MAPK3
SCHEMBL28745170 0.86 MAPK1 (0.52) MAPK1MAPK3
SCHEMBL4334510 0.82 MAPK1 (0.39) ROCK1ROCK2MAPK1MAPK3GABRA5
SCHEMBL4340620 0.82 ROCK1 (0.39) ROCK1ROCK2MAPK1MAPK3GABRA5
SCHEMBL4338629 0.82 MAPK1 (0.55) ROCK1ROCK2MAPK1MAPK3
SCHEMBL4339892 0.79 ROCK2 (0.44) ROCK1ROCK2MAPK1MAPK3GABRA5

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 ROCK1 504/4885ROCK2 805/4885HDAC4 430/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK1 504/4885ROCK2 805/4885HDAC4 430/4885

“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.