SCHEMBL20062939

SCHEMBL20062939

c1ccc2c(c1)N(c1ccncn1)C(=C1N(c3ccncn3)c3ccccc3N1c1ccncn1)N2c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.42
HSP90AA1 P07900 1/20 0.37
SORD Q00796 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CYP17A1 P05093 1/20 0.34
DRD4 P21917 1/20 0.34
CDC7 O00311 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LCK P06239 1/20 0.33
TLR9 Q9NR96 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP1A2 P05177 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ELOVL1 Q9BW60 1/20 0.30
SPR P35270 1/20 0.30
ROCK1 Q13464 1/20 0.30
CYP19A1 P11511 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 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2ROCK1
SCHEMBL20071991 0.76 RPS6KA5 (0.40) RPS6KA5HSP90AA1SORDPTGDR2CYP17A1
SCHEMBL27536692 0.75 ALDH1A1 (0.51) RPS6KA5SMN1; SMN2
SCHEMBL20062944 0.74 TLR9 (0.34) TLR9
SCHEMBL20062935 0.73 L3MBTL1 (0.46) HSP90AA1SORDCYP17A1DRD4SMN1; SMN2
SCHEMBL20062903 0.71 BCHE (0.46) SMN1; SMN2TLR9CYP1A2
SCHEMBL20062940 0.71 HCRTR1 (0.40) CYP17A1SMN1; SMN2CYP1A2ROCK1
SCHEMBL9379977 0.70 ROCK1 (0.61) SMN1; SMN2ROCK1
SCHEMBL6140993 0.70 RPS6KA5 (0.49) RPS6KA5HSP90AA1SORDPTGDR2CYP17A1
SCHEMBL28609745 0.69 ROCK1 (0.60) SMN1; SMN2ROCK1

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 RPS6KA5 1425/4885HSP90AA1 2460/4885SORD 4153/4885

“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.