SCHEMBL174728

SCHEMBL174728

COc1ccc(Cn2nccc2Nc2nc(Sc3ccc(F)cc3)nc3[nH]ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.38
AURKA O14965 1/20 0.36
GSK3B P49841 1/20 0.36
AURKB Q96GD4 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
MET P08581 1/20 0.36
TTBK1 Q5TCY1 3/20 0.36
TTBK2 Q6IQ55 3/20 0.36
POLB P06746 1/20 0.35
BUB1 O43683 4/20 0.33
PTGIR P43119 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPBWR1 P48145 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL162207 0.86 MEN1 (0.44) MEN1KMT2AAURKAGSK3BAURKB
SCHEMBL174693 0.76 MEN1 (0.38) MEN1KMT2ABTKCCNKCDK12
SCHEMBL27966694 0.72 PTGIR (0.46) MEN1KMT2AMETPTGIRMAPT
SCHEMBL175002 0.69 GSK3B (0.48) AURKAGSK3BTTBK1TTBK2
SCHEMBL15366895 0.68 BUB1 (0.38) MEN1KMT2ABTKAURKAAURKB
SCHEMBL15366362 0.68 ATM (0.40) BTKAURKAAURKBPOLBBUB1
Hydrochloric Acid SCHEMBL31463493 0.66 NPBWR1 (0.47) BTKGSK3BMAPTL3MBTL1NPBWR1
SCHEMBL162870 0.66 TRPA1 (0.40) MEN1KMT2ATTBK1TTBK2MAPT
Hydrochloric Acid SCHEMBL28635367 0.66 NPBWR1 (0.47) BTKGSK3BMAPTL3MBTL1NPBWR1
SCHEMBL13167916 0.66 NPBWR1 (0.49) BTKGSK3BMAPTNPBWR1

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 610/4885BTK 36/4885

“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.