SCHEMBL17877794

SCHEMBL17877794

N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1CS(=O)(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17877764 0.96 TNKS (0.33) TNKSPTGDR2
SCHEMBL17877689 0.96 TNKS (0.33) TNKSPTGDR2
SCHEMBL17877795 0.95 TNKS (0.34) TNKSPTGDR2
SCHEMBL17877765 0.91 TNKS (0.33) TNKS
SCHEMBL17877783 0.91 TNKS (0.33) TNKS
SCHEMBL17875981 0.90 NPC1 (0.35) NPC1RAB9AATMMEN1KMT2A
SCHEMBL17877843 0.90 TNKS (0.33) TNKS
SCHEMBL17877723 0.89 TNKS (0.34) TNKSNPC1RAB9AATM
SCHEMBL17877806 0.89 ALOX5 (0.37) TNKSATM
SCHEMBL17877646 0.88 TNKS (0.33) TNKS

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 TNKS 3309/4885PTGDR2 2045/4885NPC1 2673/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 TNKS 3309/4885PTGDR2 2045/4885NPC1 2673/4885

“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.