SCHEMBL13664413

SCHEMBL13664413

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4nccnc4c3)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 4/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NAMPT P43490 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
AR P10275 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
CNR2 P34972 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
SCHEMBL13664412 0.91 ADRA1A (0.41) NPC1RAB9APOLBGAAMAPT
SCHEMBL13664389 0.91 DRD3 (0.42) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664143 0.90 POLB (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664373 0.90 POLB (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664484 0.90 MAPT (0.40) NPC1RAB9APOLBGAAMAPT
SCHEMBL13664381 0.89 L3MBTL1 (0.49) NPC1RAB9APOLBGAAMAPT
SCHEMBL13664403 0.89 L3MBTL1 (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664372 0.88 CNR1 (0.47) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664347 0.88 CNR1 (0.43) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664422 0.88 NPC1 (0.41) NPC1RAB9APOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R NPC1 2164/4885RAB9A 1252/4885POLB 4851/4885

“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.