SCHEMBL19343000

SCHEMBL19343000

N#Cc1ccc2cc(N3C(=C4N(c5ccc6cc(C#N)ccc6c5)c5ccccc5N4c4ccc5cc(C#N)ccc5c4)N(c4ccc5cc(C#N)ccc5c4)c4ccccc43)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
PTPN1 P18031 2/20 0.34

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
SCHEMBL17794507 0.80 HSP90AA1 (0.57) HSP90AA1CA1CA2CYP11B1CYP11B2
SCHEMBL20071771 0.79 CA1 (0.39) HSP90AA1CA1CA2F2PLG
SCHEMBL19343028 0.78 HSP90AA1 (0.50) HSP90AA1CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL31324965 0.74 TSHR (0.50) CA2CYP2A6KDM4EALDH1A1TSHR
SCHEMBL17883188 0.74 TSHR (0.50) CA2CYP2A6KDM4EALDH1A1TSHR
SCHEMBL19343036 0.74 CYP1A2 (0.52) HSP90AA1CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL19343035 0.74 CYP2A6 (0.52) HSP90AA1CYP2A6ALDH1A1GAA
Water SCHEMBL1898776 0.73 CA1 (0.59) CA1CA2F2PLGPLAU
SCHEMBL31150958 0.73 CA1 (0.59) CA1CA2F2PLGPLAU
SCHEMBL60579 0.73 CA1 (0.59) CA1CA2F2PLGPLAU

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-10403827-B2 2,2′-bibenzo[D]imidazolidene compound having condensed rings at the 1-, 1′-, 3- and 3′-positions, and organic light-emitting element, display device, image information processing apparatus, lighting device, image forming apparatus and exposure unit, each containing the same CANON KABUSHIKI KAISHA (JP) 2019-09-03 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-20170263870-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2017-09-14 US disclosed
US-20170263870-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2017-09-14 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 (2 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-20170263870-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME GRK1, BRD1, BRD8 HSP90AA1 2688/4885CA1 3228/4885CA2 4006/4885
US-10403827-B2 2,2′-bibenzo[D]imidazolidene compound having condensed rings at the 1-, 1′-, 3- and 3′-positions, and organic light-emitting element, display device, image information processing apparatus, lighting device, image forming apparatus and exposure unit, each containing the same GRK1, BRD1, BRD8 HSP90AA1 2646/4885CA1 3302/4885CA2 4088/4885

“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.