SCHEMBL3703173

SCHEMBL3703173

O=C(O)c1nc2c(C(F)(F)F)cc(-c3cccnc3)cn2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MC4R P32245 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S1PR1 P21453 1/20 0.40
KMO O15229 1/20 0.40
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL3689623 0.89 LDHA (0.43) L3MBTL1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3074208 0.88 CFTR (0.48) ERN1MC4RRXFP1KDM4EALDH1A1
SCHEMBL3787142 0.86 KMO (0.36) L3MBTL1RXFP1S1PR1KMOPSD
SCHEMBL3691379 0.86 FTO (0.33) RXFP1KMOKDR
SCHEMBL3689791 0.83 PIN1 (0.41) KDM4EALDH1A1KMO
SCHEMBL3689479 0.82 CYP19A1 (0.43) CSNK2A2CSNK2BCSNK2A1L3MBTL1ALDH1A1
SCHEMBL3692564 0.82 MARS1 (0.39) KMOSCN5A
SCHEMBL3694706 0.82 SMN1; SMN2 (0.44) L3MBTL1KDM4EALDH1A1LMNAS1PR1
SCHEMBL3693270 0.80 PTGS1 (0.40)
SCHEMBL3686878 0.80 KMO (0.40) 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 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 ERN1 237/4885CSNK2A2 3840/4885CSNK2B 3792/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ERN1 237/4885CSNK2A2 3840/4885CSNK2B 3792/4885

“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.