SCHEMBL20071999

SCHEMBL20071999

c1ccc(-c2nccn2N2c3ccccc3N(n3ccnc3-c3ccccc3)C2C2N(n3ccnc3-c3ccccc3)c3ccccc3N2n2ccnc2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CHEK1 O14757 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LIMK1 P53667 1/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDR P35968 4/20 0.36
PLAA Q9Y263 1/20 0.36
TSHR P16473 1/20 0.36
ALPG P10696 1/20 0.35
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
CDK8 P49336 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ROCK1 Q13464 1/20 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
SCHEMBL5192672 0.81 ESR1 (0.49) ESR1ALDH1A1CHEK1KDM4EMAPT
SCHEMBL20062953 0.77 ESR1 (0.41) ESR1ALDH1A1CHEK1KDM4EMAPT
SCHEMBL6440778 0.70 KMT2A (0.50) ESR1ALDH1A1CHEK1KDM4EMAPT
SCHEMBL27982363 0.69 MEN1 (0.42) ESR1ALDH1A1MAPTTDP1KDR
SCHEMBL21359724 0.68 KDR (0.41) ESR1KDM4EMAPTKDRPLAA
SCHEMBL15315957 0.68 KDR (0.43) ESR1ALDH1A1KDRADRA2AADRA1D
SCHEMBL9026902 0.67 KDR (0.53) ESR1KDRPLK1PLK2
SCHEMBL28566945 0.67 KDR (0.49) ESR1KDR
SCHEMBL9444404 0.67 BRD4 (0.47) ESR1ALDH1A1CHEK1KDM4EMAPT
SCHEMBL9281044 0.67 HDAC4 (0.54) ESR1KDM4ECDK8KMT2A

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 3 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

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 ESR1 110/4885ALDH1A1 395/4885CHEK1 2013/4885

“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.