SCHEMBL3685937

SCHEMBL3685937

O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccn[nH]3)cn2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.49
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
FTO Q9C0B1 1/20 0.38
NTRK1 P04629 6/20 0.36
CMA1 P23946 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
NT5E P21589 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5AP P20292 1/20 0.34
KMO O15229 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3689283 0.83 NT5E (0.35) NT5EKMOP2RX7
SCHEMBL3787142 0.82 KMO (0.36) FTOKMOP2RX7
SCHEMBL3689623 0.82 LDHA (0.43) KMO
SCHEMBL3694706 0.80 SMN1; SMN2 (0.44) CYP3A4KMO
SCHEMBL3692564 0.80 MARS1 (0.39) KMO
SCHEMBL3701312 0.79 PKM (0.43) NOTUM
SCHEMBL3686990 0.79 RORC (0.35) KMO
SCHEMBL1583821 0.79 PTK6 (0.35) AKT1AKT2NT5EKMO
SCHEMBL3071432 0.78 KDM4E (0.38) KMO
SCHEMBL3703173 0.78 ERN1 (0.43) KMO

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 NOTUM 1173/4885CD74 999/4885MIF 3896/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 NOTUM 1173/4885CD74 999/4885MIF 3896/4885

“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.