SCHEMBL22606709

SCHEMBL22606709

N#Cc1ccnc(-n2cc(C(N)=O)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.44
ALKBH2 Q6NS38 1/20 0.44
GRM5 P41594 1/20 0.43
MYC P01106 4/20 0.43
EGLN2 Q96KS0 1/20 0.42
ALKBH1 Q13686 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
PANK3 Q9H999 1/20 0.39
SCN9A Q15858 1/20 0.38
VNN1 O95497 1/20 0.36
PARP1 P09874 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
SCHEMBL30445234 0.76 GRM5 (0.45) EGLN1GRM5IRAK4PANK3
SCHEMBL20575343 0.76 GRM5 (0.45) EGLN1GRM5IRAK4PANK3
SCHEMBL14688583 0.75 EGLN1 (0.75) EGLN1ALKBH2GRM5
SCHEMBL29556787 0.75 EGLN1 (0.75) EGLN1ALKBH2GRM5
SCHEMBL24135253 0.74 GRM5 (0.46) GRM5IRAK4PANK3
SCHEMBL15779258 0.74 IRAK4 (0.44) EGLN1GRM5ALKBH1IRAK4
SCHEMBL19955388 0.73 EGLN1 (0.43) EGLN1IRAK4SCN9A
SCHEMBL30535093 0.72 DHX9 (0.46)
SCHEMBL25433338 0.72 DHX9 (0.46)
SCHEMBL7718659 0.72 MYC (0.47) GRM5MYCEGLN2SCN9AVNN1

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-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 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-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 EGLN1 3938/4885ALKBH2 3631/4885GRM5 689/4885

“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.