SCHEMBL14224941

SCHEMBL14224941

Cc1nc(-c2c[nH]c(C(=O)N3CCCC3c3ccncc3)c2)cs1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.47
ROCK2 O75116 9/20 0.44
HSD11B1 P28845 2/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
GRM5 P41594 1/20 0.41
F2 P00734 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL14224925 0.88 ATP4A (0.41) SCDROCK2ATP4AATP4BNPC1
SCHEMBL16404111 0.77 ATP4A (0.46) ROCK2ATP4AATP4BNPC1ALDH1A1
SCHEMBL14325803 0.76 ROCK2 (0.44) ROCK2ATP4AATP4BNPC1ALDH1A1
SCHEMBL14318291 0.76 ATP4A (0.67) ATP4AATP4BNPC1ALDH1A1PKM
SCHEMBL16404065 0.76 ATP4A (0.64) ATP4AATP4BNPC1ALDH1A1PKM
SCHEMBL16404152 0.75 ATP4A (0.54) ATP4AATP4BNPC1ALDH1A1PKM
SCHEMBL16404112 0.75 ATP4A (0.53) ROCK2ATP4AATP4BNPC1ALDH1A1
SCHEMBL14318276 0.74 ATP4A (0.69) ATP4AATP4BNPC1ALDH1A1PKM
SCHEMBL16404143 0.73 ATP4A (0.53) ATP4AATP4BNPC1ALDH1A1PKM
SCHEMBL16404080 0.73 ATP4A (0.50) ATP4AATP4BNPC1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 SCD 2636/4885ROCK2 322/4885HSD11B1 3980/4885

“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.