SCHEMBL5913983

SCHEMBL5913983

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK14 Q16539 10/20 0.35
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 3/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.32
▸ HTR7 P34969 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
SCHEMBL5914170 0.92 ALDH1A1 (0.38) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914274 0.90 MAPK14 (0.37) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914397 0.88 ALDH1A1 (0.34) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914396 0.87 KDM4E (0.42) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5913976 0.87 MAPK14 (0.36) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914336 0.84 CYP1A2 (0.38) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914230 0.84 CYP1A2 (0.33) CYP1A2CYP3A4SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL5914432 0.84 MMP2 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6MAPK14
SCHEMBL5914435 0.84 MMP2 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6MAPK14
SCHEMBL5914034 0.82 ALDH1A1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6MAPT

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 CYP1A2 1159/4885CYP3A4 1290/4885SMN1; SMN2 11/4885

“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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