SCHEMBL17888462

SCHEMBL17888462

Cc1ccc(C(=O)N2CCCC(c3ccccn3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 10/20 0.58
MAP3K12 Q12852 4/20 0.58
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.54
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM5A P29375 1/20 0.51

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
SCHEMBL17886743 0.87 PLA2G1B (0.62) MAP3K12KMT2ANAMPTALDH1A1LMNA
SCHEMBL17888366 0.86 KDM4E (0.61) KMT2AKDM4ENAMPT
SCHEMBL6347014 0.80 HSD11B1 (0.53) PROKR1MAP3K12NAMPTKDM5A
SCHEMBL13212080 0.79 PRMT5 (0.53) KMT2AKDM4EALDH1A1
SCHEMBL17888407 0.79 KDM4E (0.52) KMT2AKDM4E
SCHEMBL4003240 0.76 GPR119 (0.55) KDM5A
SCHEMBL30919809 0.76 GPR119 (0.55) KDM5A
SCHEMBL16565554 0.75 ACHE (0.56) KMT2ANAMPTLMNAHPGD
SCHEMBL167219 0.75 NAMPT (0.58) MAP3K12KDM4ENAMPTKDM5A
SCHEMBL3456176 0.74 RECQL (0.73) PROKR1KMT2ANAMPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 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 (2 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PROKR1 966/4885MAP3K12 33/4885KMT2A 1797/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PROKR1 966/4885MAP3K12 33/4885KMT2A 1797/4885

“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.