SCHEMBL18540348

SCHEMBL18540348

N#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5cc(C#N)ccc54)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.40
ADORA2A P29274 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
CFTR P13569 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGER4 P35408 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.36
CYP1A2 P05177 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL18540350 1.00 ALDH1A3 (0.40) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540347 0.98 ALDH1A3 (0.42) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540351 0.94 PTGER4 (0.39) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18551956 0.94 PTGER4 (0.39) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL17253674 0.93 ALDH1A3 (0.44) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540349 0.92 ATM (0.39) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540343 0.92 KDM4E (0.43) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540329 0.92 KDM4E (0.43) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540345 0.92 KDM4E (0.43) ALDH1A3ADORA2AGABRA1GABRG2GABRB3
SCHEMBL18540327 0.92 KDM4E (0.43) ALDH1A3ADORA2AGABRA1GABRG2GABRB3

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-10193082-B2 Condensed-cyclic compound and organic light emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-01-29 US disclosed
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-23 US disclosed
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-23 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-10193082-B2 Condensed-cyclic compound and organic light emitting device including the same CRY1, CNOT9, CNOT1 ALDH1A3 1853/4885ADORA2A 3734/4885GABRA1 3587/4885
US-20170054082-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CNOT9, CNOT1 ALDH1A3 1853/4885ADORA2A 3734/4885GABRA1 3587/4885

“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.