SCHEMBL5914396

SCHEMBL5914396

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CDK5 Q00535 6/20 0.41
▸ CDK1 P06493 5/20 0.41
▸ MAPK14 Q16539 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5914274 0.92 MAPK14 (0.37) KDM4EMAPTMEN1KMT2ACDK5
SCHEMBL5914170 0.89 ALDH1A1 (0.38) KDM4EMAPTKMT2AMAPK14ALDH1A1
SCHEMBL5913983 0.87 CYP1A2 (0.36) KDM4EMAPTKMT2AMAPK14ALDH1A1
SCHEMBL5914336 0.86 CYP1A2 (0.38) KDM4EMAPTMAPK14ALDH1A1CYP1A2
SCHEMBL5261647 0.85 NPR3 (0.47) MAPTMEN1KMT2AMAPK14ALDH1A1
SCHEMBL5913860 0.85 NPR3 (0.47) MAPTMEN1KMT2AMAPK14ALDH1A1
SCHEMBL5913976 0.85 MAPK14 (0.36) KDM4EMAPTMAPK14ALDH1A1CYP1A2
SCHEMBL5914397 0.84 ALDH1A1 (0.34) KDM4EMAPTKMT2AMAPK14ALDH1A1
SCHEMBL5914432 0.83 MMP2 (0.42) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5913869 0.83 MAPK14 (0.38) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6

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 2 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
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 KDM4E 4000/4885MAPT 1/4885MEN1 438/4885

“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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