SCHEMBL174693

SCHEMBL174693

COc1ccc(Cn2nccc2N(C(=O)OC(C)(C)C)c2nc(Sc3ccc(F)cc3)nc3[nH]ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.31
RXFP1 Q9HBX9 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
BTK Q06187 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
NR3C2 P08235 1/20 0.31
MET P08581 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL174128 0.86 MEN1 (0.34) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL174728 0.76 MEN1 (0.39) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL174694 0.68 JAK1 (0.39)
SCHEMBL31463477 0.67 NPBWR1 (0.38) ALOX15L3MBTL1
SCHEMBL27966694 0.65 PTGIR (0.46) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL25056397 0.61 HTR2C (0.40) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL166205 0.59 TRPA1 (0.38) MEN1KMT2AMAPTROCK2
SCHEMBL30002876 0.59 JAK1 (0.39) MEN1KMT2A
SCHEMBL25056365 0.58 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL27977677 0.57 AKR1C3 (0.40) KDM4E

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 MEN1 2341/4885KMT2A 610/4885POLB 2457/4885

“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.