SCHEMBL162207

SCHEMBL162207

COc1ccc(Cn2nc(C)cc2Nc2nc(Sc3ccc(F)cc3)nc3[nH]ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ABCB1 P08183 1/20 0.41
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
GSK3B P49841 1/20 0.39
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36
BUB1 O43683 3/20 0.36
MET P08581 1/20 0.35
TTBK1 Q5TCY1 2/20 0.35
TTBK2 Q6IQ55 2/20 0.35

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
SCHEMBL174728 0.86 MEN1 (0.39) MEN1KMT2AABCB1AURKAAURKB
SCHEMBL174693 0.69 MEN1 (0.38) MEN1KMT2ASMN1; SMN2POLBMET
SCHEMBL173973 0.68 AURKA (0.59) AURKAAURKBGSK3B
SCHEMBL175002 0.66 GSK3B (0.48) AURKAGSK3BTTBK1TTBK2
SCHEMBL162870 0.65 TRPA1 (0.40) MEN1KMT2ATTBK1TTBK2
SCHEMBL1197498 0.64 LMNA (0.68) MEN1KMT2ASMN1; SMN2
SCHEMBL27966694 0.62 PTGIR (0.46) MEN1KMT2ASMN1; SMN2MET
SCHEMBL166205 0.62 TRPA1 (0.38) MEN1KMT2ATTBK1TTBK2
SCHEMBL173737 0.62 POLB (0.69) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL31511072 0.62 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2

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 610/4885SMN1; SMN2 3140/4885

“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.