SCHEMBL765397

SCHEMBL765397

O=Cc1cn(Cc2ccc(F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.48
KDM4A O75164 1/20 0.48
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM2 Q14416 2/20 0.38
SOS1 Q07889 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL28179151 0.85 CYP11B1 (0.45) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL3273177 0.83 CYP3A4 (0.50) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL17982242 0.80 CDK5 (0.53) KDM5BKDM4CCYP11B1CYP19A1ALDH1A1
SCHEMBL8135616 0.80 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1
SCHEMBL21199434 0.78 CYP11B1 (0.50) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL28368152 0.76 CYP11B1 (0.51) KDM4CCYP11B1CYP11B2ALDH1A1HTT
SCHEMBL3875434 0.76 ALDH1A1 (0.49) CYP11B2CYP19A1ALDH1A1KMT2ANPC1
SCHEMBL25583830 0.75 CYP11B1 (0.50) KDM5BKDM4AKDM5AKDM4CCYP11B1
SCHEMBL19609304 0.74 SMN1; SMN2 (0.48) CYP19A1ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL20678123 0.74 ALDH1A1 (0.34) ALDH1A1HTTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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-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-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 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 KDM5B 638/4885KDM4A 225/4885KDM5A 350/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM5B 638/4885KDM4A 225/4885KDM5A 350/4885

“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.