SCHEMBL17703999

SCHEMBL17703999

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc3O4)ccc1n2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ ALDH1A3 P47895 2/20 0.33
▸ MYC P01106 1/20 0.33
▸ CYP1A2 P05177 6/20 0.32
▸ CYP3A4 P08684 5/20 0.32
▸ CLK4 Q9HAZ1 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CYP2D6 P10635 4/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CSF1R P07333 1/20 0.32

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
SCHEMBL17704009 0.97 ABCG2 (0.36) ABCG2ALDH1A3MYCCYP1A2CYP3A4
SCHEMBL17703998 0.95 CYP1A2 (0.33) ABCG2ALDH1A3CYP1A2CYP3A4CLK4
SCHEMBL17703219 0.94 ABCG2 (0.34) ABCG2ALDH1A3MYCCYP1A2CYP3A4
SCHEMBL17704041 0.94 MYC (0.40) ABCG2ALDH1A3MYCCLK4JAK2
SCHEMBL17704002 0.92 MYC (0.41) ABCG2ALDH1A3MYCCLK4ALDH1A1
SCHEMBL17704048 0.91 PDK2 (0.34) ABCG2ALDH1A3MYCCYP1A2CYP3A4
SCHEMBL17704022 0.90 ABCC9 (0.35) ABCG2ALDH1A3MYCCYP1A2CYP3A4
SCHEMBL17704006 0.89 G6PD (0.32) ABCC9
SCHEMBL17703207 0.88 CYP1A2 (0.33) ABCG2CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL17704024 0.87 ABCG2 (0.36) ABCG2ALDH1A3MYCCYP1A2CYP3A4

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 3300/4885ALDH1A3 60/4885MYC 389/4885

“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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