SCHEMBL3787142

SCHEMBL3787142

O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccncc3)cn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LDHA P00338 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
CAPN1 P07384 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
FTO Q9C0B1 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PSD A5PKW4 1/20 0.34
P2RX7 Q99572 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RHEB Q15382 1/20 0.33
KIF11 P52732 1/20 0.33
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL3692564 0.91 MARS1 (0.39) KMO
SCHEMBL3689623 0.90 LDHA (0.43) KMOL3MBTL1LDHA
SCHEMBL3694706 0.88 SMN1; SMN2 (0.44) KMOL3MBTL1LDHAS1PR1
SCHEMBL3703173 0.86 ERN1 (0.43) KMOL3MBTL1S1PR1PSDRXFP1
SCHEMBL3691379 0.86 FTO (0.33) KMOLDHAFTORXFP1KDR
SCHEMBL1583704 0.85 ACMSD (0.34) KMOL3MBTL1LDHAP2RX7
SCHEMBL3686878 0.84 KMO (0.40) KMOLDHAKIF11
SCHEMBL1583247 0.83 ERN1 (0.40) KMOLDHARXFP1
SCHEMBL3686990 0.83 RORC (0.35) KMOLDHA
SCHEMBL3689791 0.83 PIN1 (0.41) KMOLDHA

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 2 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
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US 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 KMO 2804/4885L3MBTL1 3542/4885LDHA 512/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KMO 2804/4885L3MBTL1 3542/4885LDHA 512/4885

“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.