SCHEMBL13664356

SCHEMBL13664356

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4c(c3)OCO4)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 7/20 0.45
NPC1 O15118 5/20 0.45
KMT2A Q03164 4/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR4A1 P22736 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13664424 0.95 NPC1 (0.45) TSHRHSD17B10MAPTKDM4ERAB9A
SCHEMBL13664474 0.91 RAB9A (0.43) TSHRMAPTRAB9ANPC1KMT2A
SCHEMBL13664395 0.90 RAB9A (0.46) TSHRMAPTRAB9ANPC1KMT2A
SCHEMBL13664373 0.89 POLB (0.46) MAPTNPC1KMT2AMEN1LMNA
SCHEMBL13664143 0.89 POLB (0.46) MAPTNPC1KMT2AMEN1LMNA
SCHEMBL13664403 0.87 L3MBTL1 (0.46) MAPTNPC1KMT2AMEN1LMNA
SCHEMBL13664415 0.87 RAB9A (0.42) TSHRHSD17B10MAPTKDM4ERAB9A
SCHEMBL13664372 0.87 CNR1 (0.47) MAPTALDH1A1CYP3A4
SCHEMBL13664347 0.87 CNR1 (0.43) MAPTKMT2AMEN1CYP3A4
SCHEMBL13664389 0.86 DRD3 (0.42) MAPT

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 TSHR 70/4885HSD17B10 1099/4885MAPT 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.