SCHEMBL3696362

SCHEMBL3696362

Cc1cncc(-c2cc(C(F)(F)F)c3nc(C(=O)O)cn3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PTGS2 P35354 2/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ASPH Q12797 1/20 0.35
KDM4E B2RXH2 3/20 0.33
PTGER1 P34995 1/20 0.33
KCNT1 Q5JUK3 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3684061 0.80 LDHA (0.43) RXFP1PTGS2ASPHKDM4EPTGER1
SCHEMBL3690539 0.78 RXFP1 (0.38) RXFP1PIK3CAASPH
SCHEMBL7490247 0.77 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL3690751 0.75 EGLN1 (0.45) RXFP1CYP11B2KDM4EPTGER1ALDH1A1
SCHEMBL1583795 0.75 ERN1 (0.43) RXFP1PTGS2ASPHKDM4EPTGER1
SCHEMBL3792019 0.74 RXFP1 (0.42) RXFP1PTGS2ASPH
SCHEMBL3698026 0.74 RXFP1 (0.46) RXFP1PTGS2ASPHKDM4EALDH1A1
SCHEMBL3688630 0.73 RXFP1 (0.62) RXFP1PTGS2ASPHKDM4EALDH1A1
SCHEMBL3704069 0.72 ADORA2A (0.46) RXFP1PIK3CAKDM4EALDH1A1GAA
SCHEMBL3789439 0.72 ERN1 (0.38) RXFP1PTGS2PIK3CAPIK3CDPIK3CB

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 RXFP1 4676/4885CYP11B1 183/4885CYP11B2 175/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RXFP1 4676/4885CYP11B1 183/4885CYP11B2 175/4885

“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.