SCHEMBL3691065

SCHEMBL3691065

COC(=O)c1nc2c(C(F)(F)F)cc(N)cn2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 3/20 0.38
LDHA P00338 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL1583640 0.86 NOTUM (0.41) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL1583159 0.85 NOTUM (0.40) CFTRMAPTNOTUMLDHAGABRA2
SCHEMBL1584276 0.85 NOTUM (0.38) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL3066355 0.85 EGLN1 (0.32) CFTRMAPTKDM4ESMN1; SMN2PKM
SCHEMBL1583160 0.83 NOTUM (0.37) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL3053589 0.83 NOTUM (0.37) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL1583925 0.82 NOTUM (0.36) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL1583734 0.82 MAPT (0.37) CFTRMAPTNOTUMLDHAKDM4E
SCHEMBL3689642 0.82 NOTUM (0.36) CFTRMAPTNOTUMKDM4EALDH1A1
SCHEMBL1583406 0.82 NOTUM (0.36) CFTRMAPTNOTUMLDHAKDM4E

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 CFTR 2042/4885MAPT 1692/4885NOTUM 1173/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CFTR 2042/4885MAPT 1692/4885NOTUM 1173/4885

“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.