SCHEMBL14833779

SCHEMBL14833779

COc1cncc(C=Nc2cccc(OC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PTGS2 P35354 2/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM5 P08912 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKACA P17612 1/20 0.48
ROCK1 Q13464 1/20 0.48
DYRK1A Q13627 1/20 0.48
NTRK3 Q16288 1/20 0.48
PKN2 Q16513 1/20 0.48

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
SCHEMBL14833778 1.00 CYP1A2 (0.57) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833472 0.89 CYP1A2 (0.51) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833474 0.89 CYP1A2 (0.51) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14831963 0.87 CYP1A2 (0.50) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14831964 0.87 CYP1A2 (0.50) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833682 0.87 CYP1A2 (0.55) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833683 0.87 CYP1A2 (0.55) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833661 0.84 CYP1A2 (0.56) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833662 0.84 CYP1A2 (0.56) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833666 0.82 CYP1A2 (0.56) CYP1A2CYP3A4RECQLTDP1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
EP-2760831-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2014-08-06 EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
WO-2013045516-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-04-04 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 (6 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 CYP1A2 4117/4885CYP3A4 3288/4885RECQL 45/4885

“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.