SCHEMBL5265783

SCHEMBL5265783

CN(c1ccnc(NC[C@@H](O)c2ccccc2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.43
▸ CDK1 P06493 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ AURKA O14965 1/20 0.39
▸ FAAH O00519 7/20 0.39
▸ GSK3B P49841 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ USP2 O75604 1/20 0.36

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
SCHEMBL5913813 1.00 CYP2D6 (0.43) CYP2D6CDK1CDK5MAPK14AURKA
SCHEMBL5262212 0.88 AURKA (0.37) CYP2D6MAPK14AURKAHPGDMAPK1
SCHEMBL5914285 0.79 MAPK14 (0.43) MAPK14GSK3BMAPK1
SCHEMBL5914195 0.79 MAPK14 (0.43) MAPK14GSK3BMAPK1
SCHEMBL5914200 0.79 MAPK14 (0.43) MAPK14GSK3BMAPK1
SCHEMBL5913967 0.78 HTR7 (0.48) CYP2D6HPGDMAPK1KDM4EALDH1A1
SCHEMBL5914293 0.75 OGA (0.47) AURKAALDH1A1CYP1A2CYP2C19
SCHEMBL5264548 0.75 MAPK14 (0.47) MAPK14AURKA
SCHEMBL5914163 0.75 HTR7 (0.46) CYP2D6HPGDKDM4EALDH1A1CYP1A2
SCHEMBL5914178 0.75 ALDH1A1 (0.49) MAPK1KDM4EALDH1A1CYP3A4TP53

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP CYP2D6 2698/4885CDK1 205/4885CDK5 243/4885

“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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