SCHEMBL4339890

SCHEMBL4339890

COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.44
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 6/20 0.39
TACR3 P29371 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK3 P27361 3/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL4341447 0.87 JAK2 (0.40) MAPK1ROCK2ROCK1JAK2JAK3
SCHEMBL4329239 0.84 MAPK1 (0.45) MAPK1ROCK2ROCK1TACR3MAPK3
SCHEMBL4334591 0.84 ROCK2 (0.48) MAPK1ROCK2ROCK1TACR3
SCHEMBL4345581 0.84 JAK2 (0.39) MAPK1JAK2JAK3
SCHEMBL2857820 0.83 ACLY (0.42) JAK2JAK3
SCHEMBL4331956 0.82 MAPK1 (0.44) MAPK1ROCK2ROCK1TACR3JAK2
SCHEMBL2861021 0.80 PIP5K1C (0.46) JAK2JAK3
SCHEMBL2865451 0.80 MAPK10 (0.42) JAK2JAK3
SCHEMBL4334929 0.80 LMNA (0.41) MAPK1JAK2JAK3
SCHEMBL13198254 0.80 DRD2 (0.40) JAK2JAK3

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 7 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
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP 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 1/4885ROCK2 805/4885ROCK1 504/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885ROCK2 805/4885ROCK1 504/4885

“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.