SCHEMBL13613482

SCHEMBL13613482

CCn1c(-c2nc(-c3ccc(N)cc3)cnc2N)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 5/20 0.67
EGFR P00533 3/20 0.61
RPS6KA5 O75582 4/20 0.55
RPS6KB1 P23443 3/20 0.55
ROCK1 Q13464 3/20 0.55
PRKACA P17612 2/20 0.55
GSK3B P49841 2/20 0.55
ATR Q13535 1/20 0.53
HTT P42858 5/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3988108 0.86 RPS6KA5 (0.67) KDM4EALDH1A1HPGDEGFRRPS6KA5
SCHEMBL3981904 0.82 RPS6KA5 (0.67) KDM4EALDH1A1HPGDEGFRRPS6KA5
SCHEMBL3945031 0.82 RPS6KA5 (0.61) KDM4EALDH1A1HPGDEGFRRPS6KA5
SCHEMBL21777019 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDRPS6KA5RPS6KB1
SCHEMBL13606525 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDEGFRRPS6KA5
SCHEMBL3987719 0.78 RPS6KA5 (0.65) KDM4EALDH1A1HPGDEGFRRPS6KA5
SCHEMBL3949889 0.77 EGFR (1.00) EGFR
SCHEMBL3948649 0.77 EGFR (0.81) EGFR
SCHEMBL3983558 0.76 RPS6KA5 (0.66) EGFRRPS6KA5RPS6KB1ROCK1ATR
SCHEMBL13606520 0.76 RPS6KA5 (0.56) EGFRRPS6KA5RPS6KB1ROCK1ATR

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-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 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-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 KDM4E 1345/4885ALDH1A1 3409/4885HPGD 1740/4885

“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.