SCHEMBL2866843

SCHEMBL2866843

O=C(O)c1ccccc1CN1CCC(C(=O)Nc2ccc3[nH]nc(-c4cccc5ccccc45)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
ITK Q08881 1/20 0.49
ULK1 O75385 8/20 0.48
PDPK1 O15530 3/20 0.48
MAPK10 P53779 1/20 0.43
ACKR3 P25106 1/20 0.43
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MAPK6 Q16659 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
SCHEMBL2866839 0.88 ROCK2 (0.55) ROCK2ROCK1ITKULK1PDPK1
SCHEMBL13198194 0.82 ROCK2 (0.51) ROCK2ROCK1ITKULK1PDPK1
SCHEMBL2861604 0.74 MAPK10 (0.67) ROCK2ROCK1ITKPDPK1MAPK10
SCHEMBL2560944 0.72 ROCK2 (0.67) ROCK2ROCK1ULK1ACKR3
SCHEMBL12282076 0.72 TTK (0.66) ROCK2ROCK1
SCHEMBL173270 0.72 MAPK1 (0.60) ROCK2ROCK1MAPK3MAPK1MAP2K2
Hydrochloric Acid SCHEMBL2568328 0.71 TTK (0.65) ROCK2ROCK1
SCHEMBL15021912 0.71 ROCK2 (0.68) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL15022646 0.71 ROCK2 (0.68) ROCK2ROCK1MAPK3MAPK1MAP2K2
SCHEMBL2879616 0.70 PDPK1 (0.56) ITKULK1PDPK1MAPK10

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
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-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-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 (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 504/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ROCK2 1152/4885ROCK1 709/4885ITK 3628/4885

“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.