SCHEMBL5914034

SCHEMBL5914034

CN(c1ccnc(N[C@@H](CCN2CCOCC2)Cc2ccccc2)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDR P35968 6/20 0.41
▸ FGFR1 P11362 4/20 0.41
▸ EPHB4 P54760 4/20 0.41
▸ TSHR P16473 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TLR9 Q9NR96 2/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ TACR2 P21452 2/20 0.36
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL5914001 0.91 EPHB4 (0.42) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914358 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914274 0.82 MAPK14 (0.37) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5913983 0.82 CYP1A2 (0.36) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914106 0.81 CYP1A2 (0.57) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914396 0.80 KDM4E (0.42) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914170 0.80 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5913976 0.80 MAPK14 (0.36) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914230 0.79 CYP1A2 (0.33) ALDH1A1CYP3A4HSD17B10KDM4EHPGD
SCHEMBL5914336 0.78 CYP1A2 (0.38) ALDH1A1CYP3A4HSD17B10KDM4EHPGD

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 3019/4885CYP3A4 1290/4885HSD17B10 4608/4885

“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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