SCHEMBL13664436

SCHEMBL13664436

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccccc3C(F)(F)F)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
AR P10275 1/20 0.38
BRD4 O60885 1/20 0.37
CFTR P13569 1/20 0.35
ABCB1 P08183 2/20 0.35
CNR1 P21554 3/20 0.35
DGAT1 O75907 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13664353 0.90 MAPT (0.41) MAPTNPSR1LMNASMN1; SMN2GAA
SCHEMBL13664371 0.90 POLB (0.42) MAPTHTTGAAPOLBTDP1
SCHEMBL13664348 0.90 POLB (0.42) MAPTSMN1; SMN2GAAPOLBTDP1
SCHEMBL13664396 0.89 MAPT (0.41) MAPTNPSR1LMNASMN1; SMN2GAA
SCHEMBL13664365 0.89 CFTR (0.46) MAPTLMNAGAAPOLBTDP1
SCHEMBL13664408 0.88 POLB (0.42) MAPTHTTGAAPOLBTDP1
SCHEMBL13664435 0.88 RHOC (0.43) MAPTNPSR1LMNASMN1; SMN2KDM4E
SCHEMBL13664452 0.88 POLB (0.40) MAPTGAAPOLBTDP1L3MBTL1
SCHEMBL13664329 0.88 CNR1 (0.46) MAPTNPSR1LMNASMN1; SMN2KDM4E
SCHEMBL13664143 0.87 POLB (0.46) MAPTLMNAGAAPOLBTDP1

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 MAPT 4701/4885NPSR1 75/4885LMNA 4188/4885

“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.