SCHEMBL13904473

SCHEMBL13904473

COCCCNc1nc(NCCCOC)c(/N=N/c2sc(C(=O)OC)c(C)c2C#N)c(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ALDH1A1 P00352 9/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 7/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ BRAF P15056 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28467027 1.00 ADORA2A (0.40) ADORA2AALDH1A1HPGDMEN1KMT2A
SCHEMBL30153519 1.00 ADORA2A (0.40) ADORA2AALDH1A1HPGDMEN1KMT2A
SCHEMBL10085660 0.83 ADORA2A (0.39) ADORA2AALDH1A1HPGDMEN1KMT2A
SCHEMBL10119233 0.80 TP53 (0.30) ALDH1A1
SCHEMBL14004445 0.79 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL14004448 0.79 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL10119066 0.77 KDM4E (0.39) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL10119018 0.76 TP53 (0.35) ALDH1A1
SCHEMBL31707393 0.75 KDM4E (0.33) ALDH1A1HPGDKDM4ERXFP1GAA
SCHEMBL10119019 0.74 CCNA2 (0.44) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039728-A2 Red paint mixture Lanxess Deutschland GmbH (DE) 2009-03-25 — — EP disclosed
US-20090076199-A1 RED DYE MIXTURE LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 — — US disclosed
US-20090076199-A1 RED DYE MIXTURE LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 — — 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-20090076199-A1 RED DYE MIXTURE LDHA, IK, LDHB ADORA2A 4777/4885ALDH1A1 94/4885HPGD 654/4885

“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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