SCHEMBL175006

SCHEMBL175006

CCOC(=O)c1cn(CC)nc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PKM P14618 1/20 0.54
KCNH2 Q12809 1/20 0.54
MAPT P10636 4/20 0.52
ALOX12 P18054 6/20 0.50
LMNA P02545 6/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 8/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL8693579 0.80 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AMAPTALOX12
SCHEMBL8698640 0.78 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AMAPTALOX12
SCHEMBL174531 0.77 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2APKMKCNH2
SCHEMBL8698709 0.77 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AMAPTALOX12
SCHEMBL31715017 0.76 MAPT (0.44) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL4523477 0.76 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL22805526 0.76 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2APKMKCNH2
SCHEMBL8694623 0.76 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AMAPTALOX12
SCHEMBL8695938 0.76 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALOX12
SCHEMBL24218363 0.75 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2APKMKCNH2

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
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 SMN1; SMN2 3140/4885MEN1 2341/4885KMT2A 610/4885

“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.