SCHEMBL13664198

SCHEMBL13664198

Cc1cc(Cl)ccc1-n1nc(C(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL13664214 0.89 MARS1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13664171 0.84 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13664204 0.83 MAPT (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13664184 0.81 CNR1 (0.40) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL13664195 0.81 KDM4E (0.50) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL13664190 0.80 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13664193 0.80 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13664200 0.79 MAPT (0.42) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL13664218 0.77 CNR1 (0.45) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL13664189 0.77 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 472/4885GABRD 461/4885GABRA1 745/4885

“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.