SCHEMBL14287271

SCHEMBL14287271

COc1ccc(F)cc1-c1cc(/C(N)=N\O)c(N)c2c1CCN(C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.36
CDK9 P50750 8/20 0.36
SLC9A1 P19634 2/20 0.35
HRH1 P35367 1/20 0.35
HTR6 P50406 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
SCN9A Q15858 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL14287250 1.00 CCNT1 (0.36) CCNT1CDK9SLC9A1HRH1HTR6
SCHEMBL8133510 0.87 CYP1A2 (0.36) CCNT1CDK9SLC9A1CHRM5CHRM1
SCHEMBL5095974 0.80 CCNT1 (0.39) CCNT1CDK9SCN9AMKNK1LRRK2
SCHEMBL4356507 0.77 CCNT1 (0.41) CCNT1CDK9HRH1HTR6SCN9A
SCHEMBL14287249 0.76 CYP2C9 (0.38) HTR6GAACYP1A2CYP2C9
SCHEMBL13667591 0.75 CCNT1 (0.38) CCNT1CDK9CHRM5CHRM1
SCHEMBL8111928 0.74 CCNT1 (0.36) CCNT1CDK9CHRM5CHRM1SCN9A
SCHEMBL3013040 0.74 CCNT1 (0.36) CCNT1CDK9CHRM5CHRM1SCN9A
SCHEMBL8119153 0.74 CCNT1 (0.36) CCNT1CDK9SCN9AMKNK1LRRK2
SCHEMBL3024239 0.74 CCNT1 (0.36) CCNT1CDK9CHRM5CHRM1SCN9A

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-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CCNT1 4868/4885CDK9 4231/4885SLC9A1 422/4885

“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.