SCHEMBL4329239

SCHEMBL4329239

COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.45
ADORA2A P29274 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
TACR3 P29371 1/20 0.41
MAPK10 P53779 1/20 0.40
MAPK3 P27361 1/20 0.39

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
SCHEMBL4336833 0.88 MAPK10 (0.40) MAPK1ROCK2ROCK1MAPK10
SCHEMBL4336438 0.84 CTSA (0.49) MAPK1ADORA2AROCK2ROCK1TACR3
SCHEMBL4339890 0.84 MAPK1 (0.44) MAPK1ADORA2AROCK2ROCK1TACR3
SCHEMBL2862326 0.84 KDM4E (0.46) MAPK10
SCHEMBL2870547 0.81 RAB9A (0.48) MAPK10
SCHEMBL2864411 0.80 MAPK10 (0.46) MAPK1MAPK10
SCHEMBL13635810 0.79 MAPK10 (0.38) MAPK10
SCHEMBL4335941 0.79 MAPT (0.49) MAPK1MAPK10
SCHEMBL4340978 0.78 ALDH1A1 (0.46) MAPK1
SCHEMBL4338881 0.76 KDM4E (0.53) MAPK1MAPK10

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 1/4885ADORA2A 3048/4885ROCK2 805/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885ADORA2A 3048/4885ROCK2 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.