SCHEMBL17427079

SCHEMBL17427079

Cc1cc(-c2cccc3ccccc23)cc(-c2nc(Cl)nc(-c3cccc4ccccc34)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 6/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CRHR1 P34998 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
ATM Q13315 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL17427072 0.84 LMNA (0.44) ENPP3ENPP1MAPTL3MBTL1KMT2A
SCHEMBL16805025 0.82 ENPP3 (0.49) ENPP3ENPP1KMT2AKDM4ECYP1A2
SCHEMBL29501062 0.81 CYP2A6 (0.46) MAPTL3MBTL1KDM4ECYP1A2CYP2C19
SCHEMBL15147205 0.81 CYP2A6 (0.46) MAPTL3MBTL1KDM4ECYP1A2CYP2C19
SCHEMBL25774989 0.80 ENPP3 (0.50) ENPP3ENPP1MAPTL3MBTL1KMT2A
SCHEMBL24353261 0.79 KDM4E (0.49) ENPP3ENPP1MAPTL3MBTL1KMT2A
SCHEMBL17427080 0.79 ALDH1A1 (0.42) ENPP3ENPP1MAPTL3MBTL1KMT2A
SCHEMBL29316209 0.78 KDM4E (0.47) ENPP3ENPP1MAPTL3MBTL1KMT2A
SCHEMBL23728998 0.78 ALDH1A1 (0.47) ENPP3ENPP1MAPTKMT2AKDM4E
SCHEMBL17427082 0.78 ADORA2A (0.46) ENPP3ENPP1MAPTL3MBTL1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 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-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME OXER1, AOX1, CYP1A1 ENPP3 4017/4885ENPP1 3393/4885MAPT 2522/4885

“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.