SCHEMBL20062884

SCHEMBL20062884

Cc1cc2c(cc1C)N(c1cccnc1)C(=C1N(c3cccnc3)c3cc(C)c(C)cc3N1c1cccnc1)N2c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
CYP2E1 P05181 2/20 0.50
CYP3A4 P08684 2/20 0.50
HTT P42858 2/20 0.46
ELANE P08246 1/20 0.45
AR P10275 1/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
GRM1 Q13255 1/20 0.40
CYP11B2 P19099 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38

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 0.81 HTT (0.56) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL20062891 0.78 HTT (0.50) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL20062895 0.78 ALDH1A1 (0.44) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL20062900 0.78 CYP11B2 (0.46) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL20681860 0.77 CYP2A6 (0.45) CYP2A6CYP2E1CYP3A4HTTMAPT
SCHEMBL20062905 0.77 BCHE (0.42) ARALDH1A1L3MBTL1
SCHEMBL17383518 0.77 NPC1 (0.45) ELANEGAAMAPTALDH1A1MAPK1
SCHEMBL4122353 0.76 HTT (0.70) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL20062904 0.74 TDP1 (0.47) CYP2A6CYP2E1CYP3A4HTTELANE
SCHEMBL18905756 0.73 NPC1 (0.42) HTTELANEGAAMAPTALDH1A1

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 CYP2A6 1062/4885CYP2E1 878/4885CYP3A4 552/4885

“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.