SCHEMBL2861089

SCHEMBL2861089

CN(C)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(F)(F)F)cc4)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
TRPV1 Q8NER1 4/20 0.53
LRRK2 Q5S007 5/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MCHR1 Q99705 1/20 0.48
MAP2K4 P45985 2/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
ITK Q08881 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5383076 0.79 ITK (0.60) ROCK1LRRK2MAPTSMN1; SMN2MEN1
SCHEMBL5378006 0.77 ITK (0.62) ROCK1LRRK2MAPK1SMN1; SMN2MEN1
SCHEMBL5372220 0.77 MAP2K4 (0.65) LRRK2MAPTKMT2AMAP2K4ITK
SCHEMBL5379122 0.74 LRRK2 (0.54) LRRK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5377699 0.74 AURKA (0.60) LRRK2MAPK1MAP2K4ITK
SCHEMBL5373352 0.74 LRRK2 (0.62) LRRK2MAPK1MAP2K4ITK
SCHEMBL8365644 0.74 FLT3 (0.53) ROCK2ROCK1MAPK1MAP2K4MAPKAPK3
SCHEMBL5377855 0.73 MAP2K4 (0.63) LRRK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5383396 0.72 MAP2K4 (0.64) LRRK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5381989 0.72 AURKA (0.60) ROCK2ROCK1LRRK2MAPK1MAP2K4

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 13 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-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-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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (3 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 504/4885TRPV1 510/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ROCK2 1152/4885ROCK1 709/4885TRPV1 868/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885ROCK1 504/4885TRPV1 510/4885

“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.