SCHEMBL17636675

SCHEMBL17636675

N#Cc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)nn2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PDE10A Q9Y233 1/20 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
SCHEMBL17636879 0.96 PDPK1 (0.41) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636881 0.95 PDPK1 (0.44) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636878 0.94 PDPK1 (0.39) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636882 0.92 PDPK1 (0.43) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636822 0.90 PDPK1 (0.41) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636900 0.89 ALDH1A1 (0.39) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636662 0.88 KDM4E (0.41) KDM4EPTGER4MEN1KMT2AATM
SCHEMBL17636697 0.87 ALDH1A1 (0.40) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636902 0.87 PDPK1 (0.40) PDPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL17636901 0.86 PDPK1 (0.38) PDPK1ALDH1A1NPSR1KDM4EHPGD

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-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 PDPK1 3201/4885ALDH1A1 420/4885NPSR1 3905/4885

“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.