SCHEMBL754518

SCHEMBL754518

CC(=O)c1cn(Cc2ccc(F)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.52
KDM5B Q9UGL1 2/20 0.52
KDM4A O75164 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
GRM2 Q14416 2/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
POLB P06746 1/20 0.44
KLKB1 P03952 1/20 0.41
RBP4 P02753 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL16690901 0.84 RBP4 (0.54) KDM5AKDM5BKDM4AKDM4CCYP19A1
SCHEMBL19659010 0.84 MAOA (0.44) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL7185653 0.79 KDM5A (0.53) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL7186635 0.76 KDM4A (0.45) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL16921555 0.76 GRM2 (0.45) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL25583830 0.76 CYP11B1 (0.50) KDM5AKDM5BKDM4AKDM4CCYP19A1
SCHEMBL752009 0.74 CA12 (0.45) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL3612908 0.74 KDM5B (0.48) KDM5AKDM5BKDM4AKDM4CGRM2
SCHEMBL755146 0.74 KDM5B (0.47) KDM5AKDM5BKDM4AKDM4CCYP19A1
SCHEMBL15965171 0.74 KLKB1 (0.47) KDM5AKDM5BKDM4AKDM4CCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5A 350/4885KDM5B 638/4885KDM4A 225/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5A 350/4885KDM5B 638/4885KDM4A 225/4885

“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.