SCHEMBL13664388

SCHEMBL13664388

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3cn4ccccc4n3)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.40
DRD3 P35462 14/20 0.40
MAPT P10636 3/20 0.39
DRD4 P21917 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL13664449 0.93 USP30 (0.40) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664330 0.86 KMT2A (0.52) MAPTSMN1; SMN2POLBGAATDP1
SCHEMBL13664329 0.86 CNR1 (0.46) DRD2MAPTDRD4SMN1; SMN2POLB
SCHEMBL13664143 0.85 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664373 0.85 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664378 0.85 KDM4E (0.48) DRD2DRD3MAPTDRD4RAB9A
SCHEMBL13664411 0.85 SLC6A4 (0.47) DRD3MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13664349 0.84 CNR1 (0.46) DRD2MAPTDRD4SMN1; SMN2POLB
SCHEMBL13664403 0.84 L3MBTL1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664409 0.84 SLC6A4 (0.46) DRD2DRD3MAPTDRD4POLB

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 DRD2 985/4885DRD3 900/4885MAPT 4701/4885

“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.