SCHEMBL3699155

SCHEMBL3699155

O=C(O)c1nc2c(-c3ccoc3)cc(-c3ccccc3)cn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.36
MDM2 Q00987 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
CDK8 P49336 1/20 0.36
CNR2 P34972 1/20 0.34
NT5E P21589 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
PTPN1 P18031 1/20 0.33
DUSP3 P51452 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
SCHEMBL3643173 0.83 SERPINE1 (0.33) SERPINE1
SCHEMBL3689479 0.82 CYP19A1 (0.43) ALDH1A1
SCHEMBL7492195 0.81 RAB9A (0.46) ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3684957 0.81 PTGS1 (0.36) SERPINE1GPR84CDK8ALDH1A1LMNA
SCHEMBL3695641 0.80 AKR1C2 (0.41) MDM2DUSP3
SCHEMBL3690129 0.80 AKT1 (0.41) MDM2NT5E
SCHEMBL3684604 0.80 LRRK2 (0.35) SERPINE1NT5EALDH1A1
SCHEMBL1583247 0.80 ERN1 (0.40) SERPINE1NT5E
SCHEMBL3687376 0.80 GRM2 (0.44) CDK8
SCHEMBL1583278 0.79 ERN1 (0.40) SERPINE1NT5E

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 SERPINE1 4441/4885MDM2 2272/4885GPR84 1890/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SERPINE1 4441/4885MDM2 2272/4885GPR84 1890/4885

“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.