SCHEMBL3574459

SCHEMBL3574459

COc1ccccc1CNC(=O)Nc1cncc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
ROCK2 O75116 2/20 0.49
ANO1 Q5XXA6 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
ROCK1 Q13464 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
NAMPT P43490 3/20 0.44
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 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
SCHEMBL3576068 0.87 NPC1 (0.48) MAPK1ROCK2KMT2AMEN1ROCK1
SCHEMBL13500332 0.85 MAPK1 (0.56) MAPK1ROCK2ANO1KMT2AMEN1
SCHEMBL3579748 0.83 ALOX5 (0.50) NAMPT
SCHEMBL3579085 0.80 SCN2A (0.47) KMT2AMEN1MAPTALDH1A1NAMPT
SCHEMBL3587488 0.79 LCK (0.49) MAPK1ANO1
SCHEMBL3580884 0.79 MCHR1 (0.45) MAPTHPGDALDH1A1LMNAGAA
SCHEMBL3575251 0.78 SCN2A (0.49) POLBNAMPT
SCHEMBL4717289 0.78 SMN1; SMN2 (0.59) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL4717679 0.76 MEN1 (0.57) MAPK1KMT2AMEN1MAPTHPGD
SCHEMBL27716083 0.74 TSPO (0.40) LMNAACACB

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 4 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
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 MAPK1 1243/4885ROCK2 1193/4885ANO1 2760/4885

“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.