SCHEMBL174531

SCHEMBL174531

CCOC(=O)c1cnn(CC)c1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
PDE4B Q07343 1/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
KCNH2 Q12809 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
PAX8 Q06710 1/20 0.50
ALOX12 P18054 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47

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
SCHEMBL22805526 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL3868209 0.87 ALDH1A1 (0.52) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL24218363 0.87 ALDH1A1 (0.59) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL17714338 0.85 PAX8 (0.54) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL16252401 0.84 ALDH1A1 (0.48) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL16252402 0.84 ALDH1A1 (0.48) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL1355251 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL22042894 0.81 ALDH1A1 (0.52) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL1355773 0.81 ALDH1A1 (0.59) ALDH1A1PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL1354014 0.80 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2HTT

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 ALDH1A1 3689/4885PDE4B 2008/4885KMT2A 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.