SCHEMBL27015992

SCHEMBL27015992

N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(C#N)cc4-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.45
CYP3A4 P08684 10/20 0.45
CLK4 Q9HAZ1 8/20 0.45
CYP2D6 P10635 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
LMNA P02545 5/20 0.45
HSD17B10 Q99714 5/20 0.45
CYP2C19 P33261 4/20 0.45
TSHR P16473 4/20 0.45
CYP2C9 P11712 3/20 0.45
MAPK1 P28482 5/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 6/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40

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
SCHEMBL27020078 0.98 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL20150365 0.98 CYP1A2 (0.44) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26050747 0.97 CYP1A2 (0.44) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26050962 0.97 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26040857 0.97 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL22243001 0.97 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL27020163 0.97 CYP1A2 (0.45) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26051106 0.96 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26040885 0.96 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1
SCHEMBL26051387 0.96 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1

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-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 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-20240018127-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 CYP1A2 1598/4885CYP3A4 1217/4885CLK4 2024/4885

“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.