SCHEMBL10097265

SCHEMBL10097265

CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
CTSK P43235 4/20 0.36
CTSS P25774 1/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
S1PR1 P21453 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
KCNH2 Q12809 2/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL10095454 0.88 AR (0.43) ARCTSKS1PR1KDM4EALDH1A1
SCHEMBL10097267 0.87 CYP11B2 (0.41) CTSKCTSSADORA1ADORA2AS1PR1
SCHEMBL10095455 0.87 MAPK1 (0.38) CTSKCTSSADORA1S1PR1KDM4E
SCHEMBL10097261 0.85 AR (0.40) ARCTSKCTSSKDM4EALDH1A1
SCHEMBL10193335 0.85 KDM4E (0.38) ADORA1ADORA2AKDM4EALDH1A1MEN1
SCHEMBL10097263 0.85 PGR (0.43) ARADORA1ADORA2AKDM4EALDH1A1
SCHEMBL10095731 0.82 MEN1 (0.45) KDM4EALDH1A1MEN1LMNAGAA
SCHEMBL14206053 0.82 MEN1 (0.41) S1PR1ALDH1A1MEN1LMNAMAPT
SCHEMBL10097259 0.82 KIF11 (0.39) CTSKCTSSS1PR1KDM4EALDH1A1
SCHEMBL980966 0.81 GRIK2 (0.47) KDM4EALDH1A1MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS AR 4848/4885CTSK 587/4885CTSS 270/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885CTSK 113/4885CTSS 88/4885

“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.