SCHEMBL17875802

SCHEMBL17875802

c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)ccc3CSC4)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.54
CYP11B2 P19099 15/20 0.54
TDP2 O95551 2/20 0.51
CYP1A2 P05177 9/20 0.49
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP19A1 P11511 4/20 0.46
CYP17A1 P05093 2/20 0.46
KDM1A O60341 1/20 0.44
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP2B6 P20813 1/20 0.43

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
SCHEMBL17875799 0.96 TDP2 (0.51) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875800 0.94 CYP11B1 (0.52) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875750 0.91 TDP2 (0.50) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875768 0.91 TDP2 (0.50) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875807 0.89 CYP19A1 (0.55) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875754 0.85 CYP19A1 (0.50) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875770 0.85 CYP19A1 (0.50) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875789 0.84 CYP11B1 (0.40) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875781 0.84 CYP11B1 (0.40) CYP11B1CYP11B2TDP2CYP1A2CYP3A4
SCHEMBL17875776 0.83 CYP11B2 (0.40) CYP11B1CYP11B2TDP2CYP1A2CYP3A4

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-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
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 CYP11B1 938/4885CYP11B2 1374/4885TDP2 3979/4885
US-20160190482-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CYP11B1 938/4885CYP11B2 1374/4885TDP2 3979/4885

“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.