SCHEMBL5529411

SCHEMBL5529411

CN(C)C(Cl)(Cl)C(N)(Cc1cnccn1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HRH1 P35367 5/20 0.36
GBA1 P04062 1/20 0.34
CYP2D6 P10635 4/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
VNN1 O95497 1/20 0.32
KCNA5 P22460 2/20 0.32
HIF1A Q16665 1/20 0.32
NAMPT P43490 1/20 0.31
KCNN4 O15554 1/20 0.31
CHRM2 P08172 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
SCHEMBL3243595 0.72 VNN1 (0.43) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL9661853 0.70 KCNA5 (0.44) CYP3A4CYP2C9CYP1A2CYP2C19GBA1
SCHEMBL9661857 0.70 KCNA5 (0.44) CYP3A4CYP2C9CYP1A2CYP2C19GBA1
SCHEMBL5529415 0.68 CYP19A1 (0.43) CYP2D6KCNA5KCNN4CHRM2
SCHEMBL7823617 0.67 VNN1 (0.46) CYP3A4CYP2C9CYP1A2CYP2C19VNN1
SCHEMBL7823614 0.67 VNN1 (0.46) CYP3A4CYP2C9CYP1A2CYP2C19VNN1
SCHEMBL9804889 0.67 CYP1A2 (0.37) CYP3A4CYP2C9CYP1A2CYP2C19HRH1
SCHEMBL8309619 0.64 VNN1 (0.38) CYP3A4CYP2C9CYP1A2CYP2C19VNN1
SCHEMBL9302450 0.63 VNN1 (0.42) CYP3A4CYP2C9CYP1A2CYP2C19VNN1
SCHEMBL9302445 0.63 VNN1 (0.42) CYP3A4CYP2C9CYP1A2CYP2C19VNN1

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-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CYP3A4 1626/4885CYP2C9 2589/4885CYP1A2 658/4885

“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.