SCHEMBL4336833

SCHEMBL4336833

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PGK1 P00558 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
STAT6 P42226 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TMIGD3 P0DMS9 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.34
TNIK Q9UKE5 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL4329239 0.88 MAPK1 (0.45) MAPK10ROCK2ROCK1MAPK1
SCHEMBL4326727 0.88 TRPV3 (0.47) MAPK10TRPV3MAPKAPK2JAK2JAK3
SCHEMBL4328980 0.84 CDK4 (0.49) ROCK2ROCK1NPC1RAB9AMAPK1
SCHEMBL4341447 0.83 JAK2 (0.40) MAPK10TRPV3MAPKAPK2JAK2JAK3
SCHEMBL13635810 0.82 MAPK10 (0.38) MAPK10MAPKAPK2JAK2JAK3PGK1
SCHEMBL2862326 0.82 KDM4E (0.46) MAPK10MAPKAPK2PGK1SIRT2SIRT1
SCHEMBL2870547 0.81 RAB9A (0.48) MAPK10MAPKAPK2SIRT2SIRT1RAB9A
SCHEMBL2864411 0.80 MAPK10 (0.46) MAPK10MAPKAPK2PGK1SIRT2SIRT1
SCHEMBL13198256 0.79 TRPV3 (0.44) MAPK10TRPV3MAPKAPK2JAK2JAK3
SCHEMBL4336807 0.79 TRPV3 (0.44) MAPK10TRPV3MAPKAPK2JAK2JAK3

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 MAPK10 29/4885TRPV3 394/4885MAPKAPK2 18/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885TRPV3 394/4885MAPKAPK2 18/4885

“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.