SCHEMBL15024319

SCHEMBL15024319

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
DPP8 Q6V1X1 6/20 0.40
DPP7 Q9UHL4 6/20 0.40
DPP9 Q86TI2 5/20 0.40
GRM5 P41594 3/20 0.38
SLC27A1 Q6PCB7 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PIK3CG P48736 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.34
SPR P35270 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
SCHEMBL15024344 0.90 PIK3CG (0.45) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15024314 0.88 GRM5 (0.42) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15024504 0.86 GRM5 (0.41) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15024332 0.81 DPP8 (0.51) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15024313 0.81 GRM5 (0.56) GRM5SLC27A1NPC1RAB9APIK3CG
SCHEMBL15024326 0.80 GRM5 (0.46) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15026728 0.79 GRM5 (0.46) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15001840 0.78 RAB9A (0.46) GRM5NPC1RAB9APIK3CGGAA
SCHEMBL15024370 0.76 MAPK1 (0.43) DPP4DPP8DPP7DPP9GRM5
SCHEMBL15024393 0.75 GRM5 (0.43) DPP4DPP8DPP7DPP9GRM5

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 DPP4 2882/4885DPP8 3454/4885DPP7 2566/4885

“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.