SCHEMBL20062933

SCHEMBL20062933

c1ccc2c(c1)N(c1cncnc1)C(=C1N(c3cncnc3)c3ccccc3N1c1cncnc1)N2c1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
GRM5 P41594 1/20 0.35
TLR9 Q9NR96 1/20 0.34
HTT P42858 1/20 0.33
CYP2A6 P11509 2/20 0.32
SCN9A Q15858 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL20062887 0.78 HTT (0.56) HTTCYP2A6
SCHEMBL20062903 0.74 BCHE (0.46) TLR9
SCHEMBL17383504 0.72 ALDH1A1 (0.46) ATMTLR9
SCHEMBL20072043 0.71 ATM (0.38) ATMGRM5CYP2A6SCN9AEGFR
SCHEMBL20062897 0.70 CYP11B2 (0.40)
SCHEMBL20689905 0.70 ALDH1A1 (0.41) ATMGRM5HTT
SCHEMBL28603975 0.70 HTT (0.67) HTT
SCHEMBL20062944 0.68 TLR9 (0.34) TLR9EGFR
SCHEMBL20062901 0.67 CHRNB2 (0.40) TLR9CYP2A6
SCHEMBL20689847 0.67 HTT (0.44) HTTCYP2A6

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-10193084-B2 2,2′-bibenzo[D]imidazolidene compound having heteromonocyclic groups at the 1-, 1′-, 3- and 3′- positions, and organic light-emitting element and display device containing the same CANON KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 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-10193084-B2 2,2′-bibenzo[D]imidazolidene compound having heteromonocyclic groups at the 1-, 1′-, 3- and 3′- positions, and organic light-emitting element and display device containing the same BRD1, DRD1, NR2E3 ATM 2198/4885GRM5 1208/4885TLR9 2360/4885

“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.