SCHEMBL9951791

SCHEMBL9951791

O=C(O)Nc1cnc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
DEGS1 O15121 1/20 0.46
RAB9A P51151 2/20 0.45
PTGS1 P23219 2/20 0.45
NPC1 O15118 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
PARP1 P09874 1/20 0.42
WNT3A P56704 1/20 0.42
KIF11 P52732 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARA Q07869 1/20 0.41
HDAC1 Q13547 1/20 0.41
SORT1 Q99523 1/20 0.41
GSTO1 P78417 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL27483688 0.81 WNT3A (0.45) DEGS1WNT3ACYP1A2
SCHEMBL27481128 0.81 WNT3A (0.53) WNT3A
SCHEMBL3620154 0.78 RAB9A (0.68) DEGS1RAB9APTGS1NPC1TRPV1
SCHEMBL1549854 0.77 P2RY14 (0.47) TRPV1PARP1KIF11PPARAHDAC1
SCHEMBL11379704 0.75 RPS6KA3 (0.54) RAB9ANPC1TRPV1PARP1
SCHEMBL22390554 0.73 KDM1A (0.49) PARP1KIF11
SCHEMBL1549552 0.72 CFTR (0.44) ADORA3TRPV1PARP1
SCHEMBL15214054 0.71 ADORA1 (0.59) ADORA3DEGS1RAB9ANPC1HDAC6
SCHEMBL2862455 0.71 LDHA (0.65) RAB9ANPC1TRPV1KIF11PPARA
SCHEMBL27497340 0.71 HSD17B1 (0.65) WNT3AHDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-8933104-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-01-13 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 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-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ADORA3 106/4885DEGS1 1852/4885RAB9A 1825/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ADORA3 106/4885DEGS1 1852/4885RAB9A 1825/4885

“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.