SCHEMBL17703229

SCHEMBL17703229

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3C43c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.32
▸ CYP3A4 P08684 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CLK4 Q9HAZ1 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ PDK2 Q15119 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TDP2 O95551 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ABCG2 Q9UNQ0 4/20 0.31
▸ ABCB1 P08183 2/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 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
SCHEMBL17703221 0.95 PDK2 (0.33) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17704047 0.93 PDK2 (0.34) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17703207 0.91 CYP1A2 (0.33) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17703220 0.91 PDK2 (0.34) PDK2TDP2
SCHEMBL17704048 0.89 PDK2 (0.34) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17703194 0.88 CYP1A2 (0.36) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17703224 0.86 CYP11B2 (0.40) CYP1A2CYP3A4ALDH1A1CYP2C19CYP2D6
SCHEMBL17703219 0.86 ABCG2 (0.34) CYP1A2CYP3A4ALDH1A1CYP2C19CLK4
SCHEMBL17704021 0.85 PDK2 (0.36) PDK2TDP2
SCHEMBL17703234 0.85 TDP2 (0.32) TDP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 — — US disclosed
US-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
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
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 (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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 CYP1A2 15/4885CYP3A4 22/4885ALDH1A1 18/4885
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 CYP1A2 19/4885CYP3A4 27/4885ALDH1A1 5/4885

“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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