SCHEMBL8934576

SCHEMBL8934576

Cc1c[nH]c(=O)c2cc(C(F)(F)F)c(OC3CCN(C)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK14 Q16539 1/20 0.38
ROCK1 Q13464 1/20 0.38
TIPARP Q7Z3E1 1/20 0.38
RAF1 P04049 1/20 0.37
ARAF P10398 1/20 0.37
BRAF P15056 1/20 0.37
SYK P43405 1/20 0.36
FPR2 P25090 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
UTS2R Q9UKP6 5/20 0.36
SCD O00767 3/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8938597 0.87 ROCK1 (0.45) KDM4EROCK1SYKFPR2PROKR1
SCHEMBL8934393 0.86 ROCK1 (0.44) ROCK1TIPARPSYKPARP1
SCHEMBL8934495 0.86 ROCK1 (0.42) KDM4EMAPTLMNANPSR1ROCK1
SCHEMBL3230367 0.80 ROCK1 (0.41) ROCK1UTS2RMAOAMAOBHRH1
SCHEMBL8935557 0.78 HRH1 (0.40) ROCK1MAOAMAOBHRH1CCR3
SCHEMBL8938826 0.77 HRH1 (0.39) ROCK1MAOAMAOBHRH1CCR3
SCHEMBL8935395 0.74 PARP1 (0.43) ROCK1MAOAMAOBHRH1CCR3
SCHEMBL8935441 0.74 HRH1 (0.41) ROCK1MAOAMAOBHRH1CCR3
SCHEMBL2569182 0.73 HRH3 (0.45) ROCK1HRH1CCR3
SCHEMBL8934493 0.73 MAOA (0.39) KDM4EMAPTLMNANPSR1ROCK1

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
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 KDM4E 2732/4885MAPT 1961/4885LMNA 1099/4885

“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.