SCHEMBL17703227

SCHEMBL17703227

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 2/20 0.33
▸ MYC P01106 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 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
▸ LYN P07948 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FER P16591 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
SCHEMBL17704060 0.95 ALDH1A3 (0.33) ALDH1A3MYCGABRA1GABRG2GABRB3
SCHEMBL17704010 0.88 ABCG2 (0.32) ALDH1A3GABRA1GABRG2GABRB3GABRA5
SCHEMBL17703219 0.88 ABCG2 (0.34) ALDH1A3MYCJAK2PRKD3ABL1
SCHEMBL17703210 0.87 CYP17A1 (0.30) —
SCHEMBL17703222 0.86 MYC (0.39) ALDH1A3MYCGABRA1GABRG2GABRB3
SCHEMBL17703226 0.86 MDM4 (0.32) —
SCHEMBL17703208 0.86 G6PD (0.32) —
SCHEMBL17703213 0.85 MYC (0.40) ALDH1A3MYCGABRA1GABRG2GABRB3
SCHEMBL17703999 0.83 ABCG2 (0.34) ALDH1A3MYCGABRA1GABRG2GABRB3
SCHEMBL17703202 0.83 GRM5 (0.35) ABL1

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 4 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-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 (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 ALDH1A3 60/4885MYC 389/4885GABRA1 593/4885

“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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