SCHEMBL4334591

SCHEMBL4334591

COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.48
ROCK1 Q13464 8/20 0.48
MAPK1 P28482 10/20 0.47
CTSA P10619 1/20 0.44
TACR3 P29371 1/20 0.42

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
SCHEMBL4343373 0.87 ROCK2 (0.40) ROCK2ROCK1MAPK1CTSA
SCHEMBL4336438 0.84 CTSA (0.49) ROCK2ROCK1MAPK1CTSATACR3
SCHEMBL4339890 0.84 MAPK1 (0.44) ROCK2ROCK1MAPK1TACR3
SCHEMBL4331956 0.84 MAPK1 (0.44) ROCK2ROCK1MAPK1TACR3
SCHEMBL4329101 0.83 CDK4 (0.41) MAPK1CTSA
SCHEMBL2861482 0.82 CDK4 (0.48)
SCHEMBL13635355 0.79 KDM4E (0.42)
SCHEMBL2864594 0.79 KDR (0.47)
SCHEMBL13636075 0.79 CDK4 (0.47) MAPK1
SCHEMBL4348178 0.79 LMNA (0.45) MAPK1

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

“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.