SCHEMBL10097679

SCHEMBL10097679

CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(OCc3cccnc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
DYRK1A Q13627 2/20 0.39
MAOA P21397 1/20 0.39
ADAMTS4 O75173 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
PDE5A O76074 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
MAPK10 P53779 1/20 0.37
ADAM17 P78536 1/20 0.37
GRM2 Q14416 2/20 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
SCHEMBL10249407 0.90 PRMT6 (0.42) DYRK1AMAOAADAMTS4PDE5APDE4A
SCHEMBL10095835 0.88 CYP11B2 (0.45) ARDYRK1AMAOAADAMTS4ALDH1A1
SCHEMBL10254982 0.84 AR (0.41) ARDYRK1AMAOAADAMTS4ALDH1A1
SCHEMBL13152319 0.84 GRM2 (0.45) DYRK1AMAOAADAMTS4ALDH1A1ADAM17
SCHEMBL13152392 0.84 PLK4 (0.39) ARDYRK1AALDH1A1
SCHEMBL10097622 0.83 KMT2A (0.43) NPC1RAB9APDE5APDE4APDE4B
SCHEMBL13152382 0.82 AR (0.55) ARDYRK1ANPC1RAB9A
SCHEMBL13152033 0.81 GRIK2 (0.46) ARDYRK1AALDH1A1KDM4ENPC1
SCHEMBL10252757 0.80 PLK4 (0.37) ARDYRK1AALDH1A1KDM4ENPC1
SCHEMBL10095837 0.78 PRMT6 (0.39) ARDYRK1AMAOAADAMTS4GPR132

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-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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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 4848/4885DYRK1A 4862/4885MAOA 732/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885DYRK1A 4524/4885MAOA 1660/4885

“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.