SCHEMBL5434110

SCHEMBL5434110

CC#Cc1nc(Cl)cc(NCc2c(C)cccc2CC)c1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
CYP2C9 P11712 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CD38 P28907 10/20 0.37
KCNH2 Q12809 2/20 0.35
KCNN3 Q9UGI6 1/20 0.34
PPARA Q07869 1/20 0.32
DHFR P00374 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN8A Q9UQD0 1/20 0.31

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
SCHEMBL5177212 0.91 CYP3A4 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5177336 0.85 CYP3A4 (0.40) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5178046 0.84 CYP3A4 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4911084 0.81 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5175509 0.75 KAT2B (0.37) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5177384 0.74 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4909027 0.72 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4912478 0.71 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4911581 0.69 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4912610 0.69 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 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-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC CYP3A4 367/4885CYP2C9 552/4885CYP1A2 301/4885

“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.