SCHEMBL5914334

SCHEMBL5914334

CN(c1ccnc(NC(C)(C)CN(C(=O)O)C(C)(C)C)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.38
▸ CYP1A2 P05177 6/20 0.36
▸ CYP3A4 P08684 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPK14 Q16539 5/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ KDR P35968 4/20 0.34
▸ TP53 P04637 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL5914046 0.83 AURKA (0.39) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5914408 0.81 CYP1A2 (0.40) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5264835 0.79 ACACB (0.44) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5264552 0.78 CYP1A2 (0.43) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5914053 0.75 MAPK14 (0.44) AURKAMAPK14
SCHEMBL5914331 0.75 AURKA (0.38) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5913876 0.73 TAAR1 (0.46) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5913896 0.73 TAAR1 (0.46) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5261647 0.72 NPR3 (0.47) AURKACYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL5913860 0.72 NPR3 (0.47) AURKACYP1A2CYP3A4ALDH1A1CYP2D6

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed

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 2082/4885CYP1A2 1159/4885CYP3A4 1290/4885

“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.

Send feedback