SCHEMBL15466789

SCHEMBL15466789

NCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.77
▸ KDM4E B2RXH2 5/20 0.77
▸ ALDH1A1 P00352 5/20 0.77
▸ MEN1 O00255 5/20 0.77
▸ GAA P10253 3/20 0.77
▸ POLB P06746 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ HDAC1 Q13547 14/20 0.64
▸ HDAC3 O15379 10/20 0.64
▸ HDAC2 Q92769 10/20 0.64
▸ HDAC6 Q9UBN7 10/20 0.64
▸ HDAC8 Q9BY41 6/20 0.64
▸ HDAC4 P56524 2/20 0.64
▸ HDAC11 Q96DB2 2/20 0.64
▸ HCRTR1 O43613 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL13248361 0.82 KMT2A (0.73) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL15466900 0.75 KDM4E (0.61) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL28827974 0.69 KDM4E (0.72) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL10838568 0.67 APP (0.74) —
SCHEMBL10839105 0.66 APP (0.70) KMT2AMEN1HTT
SCHEMBL30125140 0.66 APP (0.70) KMT2AMEN1HTT
SCHEMBL8609424 0.66 POLB (0.68) KMT2AKDM4EALDH1A1GAAPOLB
SCHEMBL17770433 0.65 PDE5A (0.73) KMT2AKDM4EALDH1A1MEN1POLB
SCHEMBL18934419 0.64 KDM4E (0.74) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL13740867 0.64 KMT2A (0.56) KMT2AKDM4EALDH1A1MEN1GAA

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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 — — 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 KMT2A 4631/4885KDM4E 2909/4885ALDH1A1 1864/4885

“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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