SCHEMBL15024344

SCHEMBL15024344

CCNC(=O)Nc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(F)cc3)nc1-c1ccc(F)cc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.45
GRM5 P41594 3/20 0.41
GAA P10253 1/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SLC27A1 Q6PCB7 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ROCK2 O75116 3/20 0.37
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL15024314 0.92 GRM5 (0.42) GRM5GAADPP4DPP8DPP9
SCHEMBL15024319 0.90 DPP4 (0.40) PIK3CGGRM5GAADPP4DPP8
SCHEMBL15024504 0.90 GRM5 (0.41) GRM5GAADPP4DPP8DPP9
SCHEMBL15024332 0.84 DPP8 (0.51) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024313 0.84 GRM5 (0.56) PIK3CGGRM5NPC1RAB9AALDH1A1
SCHEMBL15026728 0.82 GRM5 (0.46) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024326 0.82 GRM5 (0.46) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024355 0.78 GRM5 (0.53) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024458 0.78 GRM5 (0.45) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15024370 0.78 MAPK1 (0.43) GRM5DPP4DPP8DPP9DPP7

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-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150341-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (1 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-20130150341-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 PIK3CG 854/4885GRM5 1/4885GAA 2160/4885

“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.