SCHEMBL4334510

SCHEMBL4334510

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
MAPK3 P27361 2/20 0.39
ROCK2 O75116 3/20 0.39
MAP2K4 P45985 2/20 0.39
SCN9A Q15858 1/20 0.38
LIMK1 P53667 1/20 0.38
CSNK1D P48730 2/20 0.37
ROCK1 Q13464 2/20 0.37
TACR3 P29371 2/20 0.37
MAP2K7 O14733 1/20 0.37
GABRA5 P31644 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CSNK1E P49674 1/20 0.36
XPO1 O14980 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
SCHEMBL4334282 0.86 SCN9A (0.39) MAPK1MAPK3SCN9ALIMK1CSNK1D
SCHEMBL4335964 0.84 TRPV3 (0.42) MAPK1MAPK3ROCK2MAP2K4ROCK1
SCHEMBL4334123 0.83 ROCK2 (0.43) MAPK1MAPK3ROCK2MAP2K4ROCK1
SCHEMBL4346841 0.82 ROCK1 (0.41) MAPK1MAPK3ROCK2MAP2K4ROCK1
SCHEMBL4338871 0.80 MAP2K4 (0.43) MAPK1MAPK3MAP2K4CSNK1DMAP2K7
SCHEMBL4338629 0.79 MAPK1 (0.55) MAPK1MAPK3ROCK2ROCK1TACR3
SCHEMBL2861586 0.79 MAP2K4 (0.56) MAPK1MAP2K4XPO1
SCHEMBL4341423 0.78 ROCK1 (0.39) MAPK1MAPK3ROCK2MAP2K4ROCK1
SCHEMBL2865663 0.78 DYRK1A (0.48) MAP2K4GABRA5
SCHEMBL4334999 0.77 TP53 (0.41) MAPK1MAPK3MAP2K4CSNK1D

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 MAPK1 1/4885MAPK3 2/4885ROCK2 805/4885
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.