SCHEMBL5914397

SCHEMBL5914397

CN(c1ccnc(N[C@@H](CNCCN)Cc2ccccc2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK14 Q16539 10/20 0.33
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ KDR P35968 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL5913983 0.88 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5914170 0.88 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5913869 0.86 MAPK14 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6MAPK14
SCHEMBL5914336 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5914432 0.84 MMP2 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6MAPK14
SCHEMBL5914435 0.84 MMP2 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6MAPK14
SCHEMBL5913806 0.84 MAOB (0.34) MAPK14TSHRKMT2A
SCHEMBL5913802 0.84 MAOB (0.34) MAPK14TSHRKMT2A
SCHEMBL5914396 0.84 KDM4E (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5914274 0.82 MAPK14 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT

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 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 ALDH1A1 3019/4885CYP1A2 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.

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