SCHEMBL4802418

SCHEMBL4802418

O=C(Cc1ccccc1)Nc1ccc(-c2c[c]ccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
EPHX2 P34913 1/20 0.59
RORC P51449 1/20 0.55
PRMT1 Q99873 1/20 0.54
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
WNT3A P56704 1/20 0.52
NPC1 O15118 6/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL4803134 0.85 MEN1 (0.69) MEN1KMT2AEPHX2RORCPRMT1
SCHEMBL752217 0.84 EPHX2 (0.69) MEN1KMT2AEPHX2PRMT1RAB9A
SCHEMBL28038401 0.84 EPHX2 (0.69) MEN1KMT2AEPHX2PRMT1RAB9A
SCHEMBL1283623 0.82 KMT2A (0.79) MEN1KMT2AEPHX2RORCPRMT1
SCHEMBL1510062 0.82 CYP1A1 (0.54) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3714852 0.80 KMT2A (1.00) MEN1KMT2AEPHX2RORCPRMT1
SCHEMBL27875615 0.80 MEN1 (0.79) MEN1KMT2AEPHX2RORCPRMT1
SCHEMBL4802411 0.80 LMNA (0.54) MEN1KMT2AEPHX2RAB9ASMN1; SMN2
SCHEMBL694917 0.79 EPHX2 (0.76) MEN1KMT2AEPHX2PRMT1RAB9A
SCHEMBL28299722 0.78 PTPN1 (0.70) MEN1KMT2ARAB9ASMN1; SMN2MAPT

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-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR MEN1 1580/4885KMT2A 287/4885EPHX2 1359/4885

“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.