SCHEMBL17877792

SCHEMBL17877792

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)CSCc1ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.33
G6PD P11413 2/20 0.32
RORC P51449 5/20 0.32
USP14 P54578 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PRF1 P14222 1/20 0.30

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
SCHEMBL17877691 1.00 ENPP3 (0.33) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877642 0.96 KDM4E (0.34) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877657 0.96 KDM4E (0.34) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877695 0.96 KDM4E (0.34) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877655 0.96 KDM4E (0.34) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877656 0.91 USP14 (0.36) G6PDUSP14SLC6A4SLC6A3
SCHEMBL17877808 0.90 PRF1 (0.33) G6PDPTGER4PRF1
SCHEMBL17877734 0.87 G6PD (0.31) G6PDKDM4EATML3MBTL1PTGER4
SCHEMBL17877819 0.86 ENPP3 (0.33) ENPP3G6PDRORCUSP14KDM4E
SCHEMBL17877821 0.86 ENPP3 (0.33) ENPP3G6PDRORCUSP14KDM4E

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-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-03 US disclosed
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 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-10581000-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 ENPP3 2678/4885G6PD 2202/4885RORC 1669/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ENPP3 2678/4885G6PD 2202/4885RORC 1669/4885

“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.