SCHEMBL6070463

SCHEMBL6070463

O=C(NCc1ccccc1)c1ccc2[nH]c3c(ccc4cn[nH]c43)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.54
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
ITK Q08881 1/20 0.51
RORC P51449 1/20 0.48
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 2/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TTK P33981 1/20 0.46
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL6070912 0.91 MAPK1 (0.51) IMPDH2MAPK3MAPK1RORCMAOB
SCHEMBL6071406 0.90 MAOB (0.48) RORCMAOBL3MBTL1ROCK2MAPT
SCHEMBL6070867 0.86 ROCK2 (0.48) ROCK2ROCK1HPGDMAPT
SCHEMBL6070594 0.85 MAPK1 (0.54) MAPK3MAPK1ITKROCK2KDM4E
SCHEMBL6071398 0.84 MAPT (0.53) KDM4EALDH1A1HPGDMAPT
SCHEMBL6071299 0.83 ROCK2 (0.49) IMPDH2MAPK3MAPK1MAOBROCK2
SCHEMBL6071038 0.82 MAOB (0.39) RORCMAOBROCK2KDM4EALDH1A1
SCHEMBL6071307 0.82 MAOB (0.41) MAOBL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL6070792 0.81 ROCK2 (0.49) MAOBROCK2ROCK1MAPT
SCHEMBL6071553 0.81 ITK (0.51) ITKKDM4EALDH1A1HPGDMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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 (1 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 IMPDH2 2717/4885MAPK3 76/4885MAPK1 127/4885

“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.