SCHEMBL15024326

SCHEMBL15024326

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
DPP4 P27487 9/20 0.46
DPP8 Q6V1X1 9/20 0.46
DPP7 Q9UHL4 9/20 0.46
DPP9 Q86TI2 8/20 0.46
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GRIN2B Q13224 1/20 0.38
SPR P35270 1/20 0.37
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL15007065 0.93 GRM5 (0.53) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024332 0.90 DPP8 (0.51) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024406 0.87 GRM5 (0.49) GRM5RAB9ANPC1ALDH1A1
SCHEMBL15024462 0.87 GRM5 (0.49) GRM5RAB9ANPC1ALDH1A1
SCHEMBL15024333 0.85 GRM5 (0.64) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024593 0.84 GRM5 (0.50) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024370 0.84 MAPK1 (0.43) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024366 0.83 GRM5 (0.56) GRM5RAB9ANPC1ALDH1A1LMNA
SCHEMBL15024314 0.83 GRM5 (0.42) GRM5DPP4DPP8DPP7DPP9
SCHEMBL15024393 0.83 GRM5 (0.43) GRM5DPP4DPP8DPP7DPP9

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 GRM5 1/4885DPP4 2882/4885DPP8 3454/4885

“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.