SCHEMBL13664429

SCHEMBL13664429

COc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.43
MAPT P10636 7/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 2/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.38
BRD4 O60885 1/20 0.38
MITF O75030 1/20 0.38
DRD2 P14416 1/20 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
SCHEMBL13664365 0.92 CFTR (0.46) CFTRMAPTLMNAPOLBGAA
SCHEMBL13664310 0.91 CFTR (0.46) CFTRMAPTHPGDRAD52KMT2A
SCHEMBL13664458 0.89 CFTR (0.43) CFTRMAPTLMNAHPGDRAD52
SCHEMBL13664398 0.89 NPC1 (0.46) CFTRMAPTHPGDRAD52KMT2A
SCHEMBL13664364 0.89 DRD4 (0.50) CFTRMAPTTP53HPGDKMT2A
SCHEMBL13664434 0.88 CNR1 (0.44) MAPTKMT2APOLBGAATDP1
SCHEMBL13664467 0.88 KDM4E (0.49) MAPTLMNAHPGDKMT2APOLB
SCHEMBL13664143 0.87 POLB (0.46) MAPTLMNAKMT2APOLBGAA
SCHEMBL13664373 0.87 POLB (0.46) MAPTLMNAKMT2APOLBGAA
SCHEMBL13664470 0.87 KDM4E (0.43) CFTRMAPTHPGDKMT2APOLB

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 CFTR 1209/4885MAPT 4701/4885LMNA 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.