SCHEMBL17704010

SCHEMBL17704010

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ ALDH1A3 P47895 1/20 0.31
▸ ABCC9 O60706 1/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 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
SCHEMBL17704060 0.93 ALDH1A3 (0.33) ABCG2ABCB1ALDH1A3ABCC9CLK4
SCHEMBL17703998 0.90 CYP1A2 (0.33) ABCG2ABCB1ALDH1A3ABCC9CLK4
SCHEMBL17703227 0.88 ALDH1A3 (0.33) ABCG2ABCB1ALDH1A3CLK4LMNA
SCHEMBL17703210 0.88 CYP17A1 (0.30) —
SCHEMBL17704007 0.87 PDK2 (0.32) ABCC9GABRA1GABRG2GABRB3GABRA5
SCHEMBL17704006 0.87 G6PD (0.32) ABCC9
SCHEMBL17704009 0.86 ABCG2 (0.36) ABCG2ABCB1ALDH1A3ABCC9CLK4
SCHEMBL17704029 0.86 PDK2 (0.32) ABCC9
SCHEMBL17703999 0.85 ABCG2 (0.34) ABCG2ABCB1ALDH1A3ABCC9CLK4
SCHEMBL17703993 0.85 PDK2 (0.31) ABCC9

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 ABCG2 3300/4885ABCB1 2119/4885ALDH1A3 60/4885

“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.

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