SCHEMBL10311331

SCHEMBL10311331

CCc1cn2cc(C#N)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CSNK1D P48730 1/20 0.47
CSNK1G2 P78368 1/20 0.47
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
METTL3 Q86U44 2/20 0.44
TP53 P04637 1/20 0.43
ALDH1A3 P47895 2/20 0.42
GPR39 O43194 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CYP2A6 P11509 2/20 0.40
CYP19A1 P11511 2/20 0.38
AHR P35869 1/20 0.36

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
SCHEMBL15261502 0.84 KDM4E (0.63) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL22499286 0.83 APP (0.47) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL25774521 0.83 APP (0.47) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL22530986 0.78 KDM4E (0.52) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL12618991 0.78 KDM4E (0.45) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL10066413 0.78 PDE10A (0.54) KDM4ENPC1RAB9AALDH1A1CYP1A2
SCHEMBL10053493 0.77 APP (0.54) APPCSNK1DCSNK1G2KDM4ENPC1
SCHEMBL13633339 0.77 NPC1 (0.52) APPKDM4ENPC1RAB9AALDH1A1
SCHEMBL28800271 0.76 METTL3 (0.57) APPCSNK1DCSNK1G2KDM4EALDH1A1
SCHEMBL10222603 0.75 KDM4E (0.44) APPKDM4ENPC1RAB9AALDH1A1

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-8343973-B2 Phenoxymethyl heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20100292238-A1 Phenoxymethyl Heterocyclic Compounds FMR LLC 2010-11-18 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 (2 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-20100292238-A1 Phenoxymethyl Heterocyclic Compounds PDE3A, PDE2A, PDE5A APP 1209/4885CSNK1D 3558/4885CSNK1G2 3524/4885
US-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA APP 2878/4885CSNK1D 363/4885CSNK1G2 263/4885

“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.