SCHEMBL9939619

SCHEMBL9939619

O=Cc1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPKAPK2 P49137 2/20 0.44
HDAC1 Q13547 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
KDM1A O60341 4/20 0.40
HDAC6 Q9UBN7 3/20 0.40
TGFBR1 P36897 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
IDH1 O75874 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HDAC5 Q9UQL6 1/20 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
SCHEMBL30479913 0.82 HDAC1 (0.56) MEN1KMT2AKDM4EHDAC1NPC1
SCHEMBL14303852 0.82 ASIC3 (0.50) MEN1KMT2AKDM4EHDAC1NPC1
SCHEMBL2326260 0.82 HDAC1 (0.56) MEN1KMT2AKDM4EHDAC1NPC1
SCHEMBL4538231 0.81 ASIC3 (0.53) MEN1KMT2AKDM4EHDAC1NPC1
SCHEMBL13568532 0.81 HDAC1 (0.60) MAPKAPK2HDAC1KDM1AHDAC6TGFBR1
SCHEMBL730405 0.80 CCR1 (0.42) KDM4ERAB9AALDH1A1IDH1
SCHEMBL29387096 0.80 CCR1 (0.42) KDM4ERAB9AALDH1A1IDH1
SCHEMBL30259309 0.78 CCR1 (0.41) KDM4ERAB9AKDM1AALDH1A1IDH1
SCHEMBL30259554 0.78 CCR1 (0.41) KDM4ERAB9AKDM1AALDH1A1IDH1
SCHEMBL3361759 0.78 HDAC1 (0.44) HDAC1KDM1AHDAC6LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
WO-2014055142-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2014-04-10 WO disclosed
EP-2651906-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE Cocrystal Discovery, Inc. (US) 2013-10-23 EP disclosed
EP-2617715-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-07-24 EP disclosed
EP-2617715-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-07-24 EP disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO disclosed
CN-100448846-C Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate UNIV TSINGHUA (CN) 2009-01-07 CN disclosed
CN-1995017-A Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate UNIV TSINGHUA (CN) 2007-07-11 CN 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-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 MEN1 2952/4885KMT2A 3110/4885KDM4E 4469/4885
US-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 MEN1 4805/4885KMT2A 3778/4885KDM4E 3082/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MEN1 4122/4885KMT2A 2421/4885KDM4E 2970/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 MEN1 4805/4885KMT2A 3778/4885KDM4E 3082/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 MEN1 4805/4885KMT2A 3778/4885KDM4E 3082/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E MEN1 4122/4885KMT2A 2421/4885KDM4E 2970/4885

“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.