SCHEMBL17704059

SCHEMBL17704059

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)ccc1n2-c1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.32
▸ ABCC9 O60706 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL17704006 0.93 G6PD (0.32) ABCC9
SCHEMBL17704029 0.92 PDK2 (0.32) ABCC9
SCHEMBL17704035 0.92 ROCK2 (0.32) TNKS2ABCC9CYP19A1CYP11B1CYP11B2
SCHEMBL17704007 0.92 PDK2 (0.32) ABCC9
SCHEMBL17704039 0.90 CYP11B2 (0.35) ABCC9CYP19A1CYP11B1CYP11B2
SCHEMBL17704028 0.89 PIK3CD (0.36) —
SCHEMBL17703993 0.88 PDK2 (0.31) ABCC9
SCHEMBL17703208 0.88 G6PD (0.32) —
SCHEMBL17704001 0.87 CYP11B2 (0.39) CYP19A1CYP11B1CYP11B2
SCHEMBL17704015 0.87 ABCC9 (0.34) TNKS2ABCC9

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-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — 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-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 TNKS2 3678/4885ABCC9 2989/4885CYP19A1 52/4885

“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.

Send feedback