SCHEMBL21705078

SCHEMBL21705078

N#Cc1ccc(-c2c3c(c(-c4ccc(C#N)cc4)c4cc5ccccc5cc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c84)c57)c2c(-c3ccccc3)c3cccc4c5ccccc5c(c34)c62)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.34
ATM Q13315 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SLC22A12 Q96S37 2/20 0.33
ABCB1 P08183 1/20 0.33
DPP4 P27487 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ESR1 P03372 2/20 0.32

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
SCHEMBL21704891 0.85 MCL1 (0.36) KMT2ACA1CA2ESR1ESR2
SCHEMBL21705051 0.85 GPR84 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21888689 0.84 ATM (0.33) ABCG2ATMALDH1A1MEN1KMT2A
SCHEMBL21704893 0.80 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ESR1
SCHEMBL21704881 0.80 GPR84 (0.37) ATMALDH1A1MEN1KMT2AABCB1
SCHEMBL12682329 0.79 DPP4 (0.38) ABCG2ALDH1A1MEN1KMT2AABCB1
SCHEMBL21704887 0.79 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL18365177 0.79 MYC (0.38) ABCG2ATMALDH1A1MEN1KMT2A
SCHEMBL23081331 0.78 DPP4 (0.32) ALDH1A1MEN1KMT2ADPP4LMNA
SCHEMBL21704897 0.78 ESR1 (0.35) ALDH1A1MEN1KMT2ALMNACYP1A2

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-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object CANON KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 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-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT OCIAD1, L1CAM, SPIN4 ABCG2 3786/4885ATM 3270/4885ALDH1A1 283/4885
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object OCIAD1, L1CAM, SPIN4 ABCG2 3786/4885ATM 3270/4885ALDH1A1 283/4885

“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.