SCHEMBL20062887

SCHEMBL20062887

c1cncc(N2C(=C3N(c4cccnc4)c4ccccc4N3c3cccnc3)N(c3cccnc3)c3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
CYP2A6 P11509 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2E1 P05181 2/20 0.47
ELANE P08246 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
AR P10275 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNA5 P30532 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41

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
SCHEMBL17123078 0.84 HTT (0.53) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20062884 0.81 CYP2A6 (0.50) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20062891 0.81 HTT (0.50) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20062933 0.78 ATM (0.39) HTTCYP2A6
SCHEMBL21453943 0.77 HTT (0.50) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL17123066 0.77 HTT (0.50) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20062900 0.77 CYP11B2 (0.46) HTTCYP2A6CYP3A4CYP2E1ELANE
SCHEMBL20062895 0.77 ALDH1A1 (0.44) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20689853 0.76 HTT (0.49) HTTL3MBTL1CYP2A6CYP3A4CYP2E1
SCHEMBL20062903 0.76 BCHE (0.46) CYP3A4MAPTMAPK1ARALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 US disclosed
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
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 HTT 3249/4885L3MBTL1 498/4885CYP2A6 1062/4885

“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.