SCHEMBL3690751

SCHEMBL3690751

O=C(O)c1cn2cc(-c3cccc(F)c3)cc(C(F)(F)F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
LDHA P00338 2/20 0.43
KMO O15229 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGER1 P34995 2/20 0.39
CYP11B2 P19099 1/20 0.39
PIN1 Q13526 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NT5E P21589 2/20 0.38
ACHE P22303 1/20 0.37
DHODH Q02127 1/20 0.37
DCLRE1B Q9H816 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 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
SCHEMBL3684061 0.89 LDHA (0.43) EGLN1LDHAKMOKDM4EALDH1A1
SCHEMBL3693661 0.84 KDM4E (0.47) EGLN1KDM4EALDH1A1
SCHEMBL3690077 0.80 KMO (0.45) KMO
SCHEMBL1583795 0.79 ERN1 (0.43) LDHAKMOKDM4EALDH1A1PTGER1
SCHEMBL7493424 0.78 EGLN1 (0.46) EGLN1KDM4E
SCHEMBL3704069 0.78 ADORA2A (0.46) EGLN1KDM4EALDH1A1RXFP1
SCHEMBL3690539 0.76 RXFP1 (0.38) KMORXFP1
SCHEMBL3688388 0.76 PIN1 (0.41) LDHAKMOKDM4EALDH1A1CYP11B2
SCHEMBL3691090 0.76 PIN1 (0.41) LDHAKMOKDM4EALDH1A1PTGER1
SCHEMBL3689791 0.76 PIN1 (0.41) LDHAKMOKDM4EALDH1A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 WO 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 EGLN1 369/4885LDHA 512/4885KMO 2804/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 EGLN1 369/4885LDHA 512/4885KMO 2804/4885

“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.