SCHEMBL6071111

SCHEMBL6071111

CC(=O)CCCC(=O)Nc1ccc2[nH]c3c(ccc4cn[nH]c43)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
P2RY12 Q9H244 2/20 0.43
TERT O14746 4/20 0.41
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 2/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
NPY5R Q15761 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6070591 0.82 CTNNB1 (0.52) CNR1CNR2P2RY12TERTALDH1A1
SCHEMBL6071391 0.81 ROCK2 (0.46) ROCK2ROCK1ALDH1A1KDM4EHPGD
SCHEMBL6071196 0.80 KMT2A (0.57) ALDH1A1NPY5RMEN1KMT2ANPC1
SCHEMBL6070986 0.77 RAB9A (0.46) ROCK2MEN1KMT2ANPC1
SCHEMBL6071209 0.75 VCP (0.46) HPGDNPC1
SCHEMBL6071127 0.74 NPC1 (0.51) ALDH1A1KDM4EHPGDNPC1
SCHEMBL6071625 0.73 MAPK10 (0.54) P2RY12TERTALDH1A1KDM4EHPGD
SCHEMBL6071485 0.73 MAOB (0.56) ALDH1A1MEN1KMT2ANPC1
SCHEMBL6449770 0.70 ROCK2 (0.35) ROCK2ROCK1HSD17B10NPC1
SCHEMBL6449766 0.70 ROCK2 (0.35) ROCK2ROCK1HSD17B10NPC1

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 3 patents. 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
EP-1599202-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-11-30 EP disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO 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 CNR1 3272/4885CNR2 3446/4885ROCK2 698/4885

“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.