SCHEMBL174128

SCHEMBL174128

COc1ccc(Cn2nccc2N(C(=O)OC(C)(C)C)c2nc(Sc3ccc(F)cc3)nc3c2ccn3C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 3/20 0.32
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.32
NPBWR1 P48145 3/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL174693 0.86 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL31463477 0.66 NPBWR1 (0.38) NPBWR1ALOX15L3MBTL1
SCHEMBL27966694 0.65 PTGIR (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL25056397 0.61 HTR2C (0.40) ALDH1A1NPBWR1SMN1; SMN2L3MBTL1
SCHEMBL27977677 0.57 AKR1C3 (0.40) KDM4ENPBWR1
SCHEMBL2883241 0.57 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL19244715 0.57 NPBWR1 (0.51) ALDH1A1MAPTKDM4ENPBWR1SMN1; SMN2
SCHEMBL29483303 0.57 NPBWR1 (0.52) NPBWR1ALOX15L3MBTL1
SCHEMBL24035218 0.56 HTR2C (0.40) ALDH1A1MAPTSMN1; SMN2ALOX15L3MBTL1
SCHEMBL25056365 0.56 KMT2A (0.44) MEN1KMT2AALDH1A1MAPTKDM4E

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 610/4885ALDH1A1 3689/4885

“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.