SCHEMBL20062932

SCHEMBL20062932

c1cnnc(N2C(=C3N(c4cccnn4)c4ccccc4N3c3cccnn3)N(c3cccnn3)c3ccccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.35
GOT1 P17174 1/20 0.33
SCN9A Q15858 1/20 0.33
TLR9 Q9NR96 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP17A1 P05093 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL20062878 0.74 SMN1; SMN2 (0.53) ALDH1A1HTTHSD17B10CYP1A2
SCHEMBL20071765 0.73 SLC6A7 (0.34) SLC6A7GOT1SCN9AOPRM1OPRL1
SCHEMBL27712781 0.69 HPGD (0.36) SLC6A7SCN9A
SCHEMBL28770763 0.67 ROCK1 (0.55) SCN9AALDH1A1HTTHSD17B10
SCHEMBL3148048 0.67 GOT1 (0.37) SLC6A7GOT1OPRM1OPRL1CYP17A1
SCHEMBL17104832 0.67 GOT1 (0.37) SLC6A7GOT1SCN9AOPRM1OPRL1
SCHEMBL20062939 0.67 RPS6KA5 (0.42) TLR9CYP17A1CYP1A2
SCHEMBL20062935 0.65 L3MBTL1 (0.46) SLC6A7SCN9AALDH1A1CYP17A1CYP1A2
SCHEMBL10377958 0.65 ADORA2A (0.35) SLC6A7GOT1SCN9AOPRM1OPRL1
SCHEMBL20062943 0.65 TLR9 (0.34) TLR9

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 SLC6A7 4237/4885GOT1 4179/4885SCN9A 1999/4885

“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.