SCHEMBL23712244

SCHEMBL23712244

C=N/C(=C\C=C(/C)c1ccncc1)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 8/20 0.38
▸ CYP11B1 P15538 6/20 0.38
▸ CYP11B2 P19099 6/20 0.38
▸ CYP19A1 P11511 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL23921308 1.00 CYP17A1 (0.38) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL23921338 0.92 CYP17A1 (0.40) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL23921309 0.87 ALDH1A1 (0.40) CYP19A1CYP3A4SIRT2HDAC1MAPT
SCHEMBL20013951 0.84 HDAC1 (0.35) SIRT2HDAC1MAPTNPC1RAB9A
SCHEMBL19044569 0.78 MEN1 (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL22306711 0.75 PRKCI (0.42) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL20903484 0.73 CYP17A1 (0.50) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL25616099 0.71 HSD17B1 (0.34) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL21764274 0.70 PRKCI (0.41) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL23370643 0.69 NOTUM (0.60) MAPTNPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-08-03 — — 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-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP17A1 1734/4885CYP11B1 1561/4885CYP11B2 1249/4885

“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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