SCHEMBL6833485

SCHEMBL6833485

O=C1Nc2ccc(Br)cc2C1=Cc1ccc(C(=O)O)o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RPS6KA3 P51812 1/20 0.59
RET P07949 3/20 0.55
CCNB2 O95067 3/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNB3 Q8WWL7 3/20 0.53
HSP90AA1 P07900 1/20 0.53
CCR6 P51684 1/20 0.53
PLK4 O00444 1/20 0.53
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.51
PDGFRB P09619 3/20 0.48
FGFR1 P11362 3/20 0.48
KDR P35968 3/20 0.48
SRC P12931 1/20 0.48
PIM1 P11309 1/20 0.47

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
SCHEMBL6855761 1.00 MEN1 (0.61) MEN1KMT2ARPS6KA3RETCCNB2
SCHEMBL6830071 0.81 MEN1 (0.67) MEN1KMT2ARPS6KA3RETCCNB2
SCHEMBL6854443 0.81 MEN1 (0.67) MEN1KMT2ARPS6KA3RETCCNB2
SCHEMBL3141668 0.78 TLK2 (0.63) MEN1KMT2ARETHSP90AA1PDGFRB
SCHEMBL3141680 0.78 TLK2 (0.63) MEN1KMT2ARETHSP90AA1PDGFRB
SCHEMBL1304319 0.77 TLK2 (0.62) MEN1KMT2ARETHSP90AA1PDGFRB
SCHEMBL1304323 0.77 TLK2 (0.62) MEN1KMT2ARETHSP90AA1PDGFRB
SCHEMBL6855418 0.75 RPS6KA3 (0.62) MEN1KMT2ARPS6KA3RETCCNB2
SCHEMBL6830072 0.75 RPS6KA3 (0.62) MEN1KMT2ARPS6KA3RETCCNB2
SCHEMBL6849771 0.74 RPS6KA3 (1.00) MEN1KMT2ARPS6KA3RETCCNB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1169/4885KMT2A 1640/4885RPS6KA3 69/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1169/4885KMT2A 1640/4885RPS6KA3 69/4885

“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.