SCHEMBL3874792

SCHEMBL3874792

O=C(O)c1ccc(Cn2cnc(CNCc3ccc(Br)cc3F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.43
KDM5A P29375 3/20 0.43
KDM5B Q9UGL1 3/20 0.43
KDM4A O75164 2/20 0.43
AKR1B1 P15121 6/20 0.37
VNN1 O95497 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 2/20 0.37
PTGER4 P35408 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 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
Potassium Ion SCHEMBL3877293 0.90 HDAC6 (0.36) KDM4CKDM5AKDM5BKDM4AAKR1B1
SCHEMBL3881934 0.81 KDM5A (0.55) KDM4CKDM5AKDM5BKDM4AVNN1
SCHEMBL3873546 0.78 KDM5B (0.51) KDM4CKDM5AKDM5BKDM4AHDAC6
SCHEMBL3877779 0.76 ALDH1A1 (0.48) KDM4CKDM5AKDM5BKDM4AMEN1
SCHEMBL3873000 0.76 KDM4C (0.51) KDM4CKDM5AKDM5BKDM4AMAPT
SCHEMBL3886892 0.74 KDM4C (0.57) KDM4CKDM5AKDM5BVNN1HDAC6
SCHEMBL3881010 0.74 CDK5 (0.51) VNN1PTGER4ALDH1A1
SCHEMBL3874614 0.73 KDM4C (0.49) KDM4CKDM5AKDM5BKDM4A
SCHEMBL3873027 0.73 KDM5B (0.47) KDM4CKDM5AKDM5BKDM4AMEN1
SCHEMBL3878702 0.72 SMN1; SMN2 (0.54) HDAC1PTGER4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673955-B2 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them MERCK PATENT GMBH (DE) 2014-03-18 US claimed
EP-1910305-B1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2009-08-26 EP claimed
US-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
EP-1910305-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007019937-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO claimed
EP-1752450-A1 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-14 EP claimed
US-8673955-B2 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
EP-1910305-B1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2009-08-26 EP disclosed
US-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
EP-1910305-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-16 EP disclosed
WO-2007019937-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1752450-A1 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-14 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 (1 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-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them FBP1, ALDOA, GYS2 KDM4C 3197/4885KDM5A 2180/4885KDM5B 1940/4885

“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.