SCHEMBL9604649

SCHEMBL9604649

COc1ccc(-c2cnc(-c3ccncc3Br)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PTPN1 P18031 11/20 0.56
PTPN2 P17706 5/20 0.55
PTPN6 P29350 4/20 0.55
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
STAT1 P42224 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7078511 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL2603426 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL30377760 0.79 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL9606209 0.79 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL1180905 0.78 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL4871472 0.77 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL2603403 0.74 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL4880206 0.74 KDM4E (0.89) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL31288126 0.74 PTPN1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL10909733 0.73 TSHR (0.74) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1

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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 US disclosed
US-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 US disclosed
WO-2010121243-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2010-10-21 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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CDK2, CCNC KDM4E 2610/4885ALDH1A1 1378/4885HPGD 87/4885

“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.