SCHEMBL21364026

SCHEMBL21364026

Cc1ccccc1-c1cc(-c2c3ccccc3c(-c3ccnc(-c4ccccc4C)c3)c3ccccc23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
CYP1A2 P05177 9/20 0.44
CYP2C19 P33261 7/20 0.44
CYP2D6 P10635 6/20 0.44
CYP3A4 P08684 5/20 0.44
CLK4 Q9HAZ1 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP4K4 O95819 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK14 Q16539 1/20 0.40
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL21363952 0.87 TGFBR1 (0.50) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL21363956 0.85 GRM5 (0.40) TGFBR1CYP1A2ALDH1A1MAPK10NPC1
SCHEMBL21364094 0.83 TGFBR1 (0.40) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL15743711 0.83 TGFBR1 (0.56) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL21364027 0.81 GRM5 (0.43) TGFBR1CYP1A2ALDH1A1MAPK10NPC1
SCHEMBL16526824 0.81 TGFBR1 (0.66) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL16526825 0.81 TGFBR1 (0.55) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL16526738 0.81 TGFBR1 (0.58) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL16526669 0.80 TGFBR1 (0.53) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL18643923 0.80 TGFBR1 (0.53) TGFBR1CYP1A2CYP2C19CYP2D6CYP3A4

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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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 (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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 TGFBR1 2369/4885CYP1A2 317/4885CYP2C19 551/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 TGFBR1 2369/4885CYP1A2 317/4885CYP2C19 551/4885

“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.