SCHEMBL13499907

SCHEMBL13499907

O=C(Nc1nnc(Br)s1)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 3/20 0.61
MIF P14174 1/20 0.61
GLS O94925 1/20 0.55
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.46
RAD51 Q06609 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5332558 0.83 ALDH1A1 (0.64) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL9156058 0.83 ALDH1A1 (0.60) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL6215399 0.83 NPC1 (0.60) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL1011592 0.81 POLB (0.68) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL23966723 0.80 ALDH1A1 (0.60) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL11865969 0.80 HTT (0.60) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL17193491 0.80 GLS (0.82) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL13499905 0.79 CCNE1 (0.65) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL894206 0.79 RAB9A (0.58) KMT2AALDH1A1MEN1POLBMIF
SCHEMBL11168806 0.79 KMT2A (0.55) KMT2AALDH1A1MEN1POLBMIF

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 KMT2A 815/4885ALDH1A1 2198/4885MEN1 2463/4885

“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.