SCHEMBL1644320

SCHEMBL1644320

O=C(O)c1cnc2cc(-n3cccn3)cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MGAM O43451 1/20 0.43
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
HDAC4 P56524 1/20 0.41
KMT2A Q03164 2/20 0.41
NLRP3 Q96P20 1/20 0.40
KAT6A Q92794 2/20 0.38
FGFR1 P11362 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
MGLL Q99685 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1285543 0.80 RXFP1 (0.43) LMNAKMT2ANLRP3KDM4EALDH1A1
SCHEMBL14812272 0.80 LMNA (0.51) LMNAKDM5AKDM2BKDM4CKDM5B
SCHEMBL14822077 0.75 LMNA (0.56) LMNAMGAMKDM5AKDM2BKDM4C
SCHEMBL3380687 0.75 LMNA (0.56) LMNAMGAMKDM5AKDM2BKDM4C
SCHEMBL4637527 0.74 LMNA (0.64) LMNAKMT2AKDM4EHTTALDH1A1
SCHEMBL321724 0.73 LMNA (0.61) LMNAKDM5AKDM2BKDM4CKDM5B
SCHEMBL2335110 0.72 FGFR1 (0.70) LMNAKDM5AKDM2BKDM4CKDM5B
SCHEMBL29488339 0.72 KAT6A (0.59) LMNAKDM5AKDM2BKDM4CKDM5B
SCHEMBL940668 0.72 KAT6A (0.59) LMNAKDM5AKDM2BKDM4CKDM5B
SCHEMBL5800492 0.71 KDM4E (0.45) LMNAMGAMKMT2AFGFR1KDM4E

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 3 patents. 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
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
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 LMNA 2439/4885MGAM 4656/4885KDM5A 4528/4885

“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.