SCHEMBL5262212

SCHEMBL5262212

CN(c1ccnc(NC[C@H](O)c2ccccn2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ CYP2D6 P10635 5/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 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
SCHEMBL5913813 0.88 CYP2D6 (0.43) AURKAHRH4CYP2D6CYP3A4CYP1A2
SCHEMBL5265783 0.88 CYP2D6 (0.43) AURKAHRH4CYP2D6CYP3A4CYP1A2
SCHEMBL5914293 0.77 OGA (0.47) AURKACYP1A2ALDH1A1CYP2C19LMNA
SCHEMBL5913967 0.75 HTR7 (0.48) SLC6A3HRH4CYP2D6CYP3A4CYP1A2
SCHEMBL5914200 0.74 MAPK14 (0.43) MAPK1MAPK14KCNH2
SCHEMBL5914285 0.74 MAPK14 (0.43) MAPK1MAPK14KCNH2
SCHEMBL5914195 0.74 MAPK14 (0.43) MAPK1MAPK14KCNH2
SCHEMBL5913896 0.72 TAAR1 (0.46) AURKACYP2D6CYP3A4CYP1A2ALDH1A1
SCHEMBL5913876 0.72 TAAR1 (0.46) AURKACYP2D6CYP3A4CYP1A2ALDH1A1
SCHEMBL5265780 0.72 PIK3CG (0.42) AURKACYP3A4CYP1A2TP53SMN1; SMN2

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 AURKA 2082/4885SLC6A3 3193/4885HRH4 22/4885

“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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