SCHEMBL1644747

SCHEMBL1644747

CCNc1ccc(C#N)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
PGK1 P00558 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EGLN2 Q96KS0 5/20 0.35
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NQO1 P15559 1/20 0.33
CTSS P25774 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CHEK1 O14757 1/20 0.33
IDO1 P14902 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
SCHEMBL20355165 0.79 EGLN2 (0.37) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL1688380 0.76 EGLN2 (0.35) ALDH1A1EGLN2NQO1SOS2
SCHEMBL18358198 0.75 HTT (0.39) KDM4EALDH1A1HPGDHSD17B10EGLN2
SCHEMBL1475785 0.72 SLC22A12 (0.40) EGLN2
SCHEMBL9087154 0.72 EGLN2 (0.37) KDM4EALDH1A1HPGDHSD17B10EGLN2
SCHEMBL1642783 0.72 LMNA (0.38) PGK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL701812 0.70 NOS3 (0.44) KDM4EALDH1A1EGLN2TSHRNQO1
SCHEMBL25083640 0.69 CTSK (0.49) ADORA1ADORA2AKDM4EALDH1A1HSD17B10
SCHEMBL21604162 0.69 NNMT (0.42) PGK1
SCHEMBL21928096 0.69 EGLN2 (0.40) KDM4EALDH1A1EGLN2TSHRNQO1

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 ADORA1 447/4885ADORA2A 487/4885PGK1 2105/4885

“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.