SCHEMBL6071391

SCHEMBL6071391

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
STK17A Q9UEE5 2/20 0.45
DAPK3 O43293 1/20 0.45
STK17B O94768 1/20 0.45
DAPK1 P53355 1/20 0.45
DAPK2 Q9UIK4 1/20 0.45
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 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
SCHEMBL6071111 0.81 CNR1 (0.46) ROCK2ROCK1KDM4EKMT2AALDH1A1
SCHEMBL6449770 0.79 ROCK2 (0.35) ROCK2ROCK1STK17ASTK17BMAPT
SCHEMBL6449766 0.79 ROCK2 (0.35) ROCK2ROCK1STK17ASTK17BMAPT
SCHEMBL6071127 0.77 NPC1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL6071485 0.77 MAOB (0.56) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL6071209 0.77 VCP (0.46) SMN1; SMN2NPC1RAB9AHPGDJAK2
SCHEMBL6070591 0.76 CTNNB1 (0.52) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL6070986 0.74 RAB9A (0.46) ROCK2STK17AKMT2AMEN1SMN1; SMN2
SCHEMBL6071196 0.73 KMT2A (0.57) STK17AKMT2AALDH1A1MAPTMEN1
SCHEMBL5583293 0.73 ACHE (0.46) KDM4EKMT2AALDH1A1MAPTMEN1

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 ROCK2 698/4885ROCK1 604/4885STK17A 264/4885

“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.