SCHEMBL13664190

SCHEMBL13664190

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
NPY5R Q15761 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL13664193 1.00 MAPT (0.47) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664173 0.91 MAPT (0.55) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664191 0.90 MAPK14 (0.48) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664197 0.89 CA1 (0.48) ALDH1A1CA1CA2CA4CA9
SCHEMBL13664171 0.89 MAPT (0.47) MAPTLMNACA1CA2CA4
SCHEMBL13664205 0.89 CA1 (0.44) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664162 0.88 MEN1 (0.51) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664163 0.86 MAPT (0.51) MAPTALDH1A1LMNAHPGDCA1
SCHEMBL13664204 0.86 MAPT (0.43) MAPTALDH1A1LMNAHPGDATM
SCHEMBL13664170 0.85 MAPT (0.50) MAPTALDH1A1LMNAHPGDKDM4E

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 4701/4885ALDH1A1 3415/4885LMNA 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.