SCHEMBL755451

SCHEMBL755451

Cc1cnc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HSPB1 P04792 1/20 0.47
RXRB P28702 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MMP13 P45452 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38

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
SCHEMBL4797787 0.81 KDM4E (0.50) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL4797783 0.81 KMT2A (0.40) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL752996 0.81 HTT (0.52) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL20176867 0.79 KMT2A (0.38) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL31132787 0.78 MEN1 (0.64) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL778928 0.78 MEN1 (0.64) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL4792408 0.77 MEN1 (0.50) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL12967182 0.77 L3MBTL1 (0.50) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL751951 0.77 MEN1 (0.44) MEN1KMT2AKDM4EL3MBTL1HTT
SCHEMBL27301288 0.75 MEN1 (0.51) MEN1KMT2AKDM4EL3MBTL1HTT

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 15 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (4 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MEN1 4766/4885KMT2A 516/4885KDM4E 336/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS MEN1 4815/4885KMT2A 4092/4885KDM4E 3905/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885KDM4E 382/4885

“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.