SCHEMBL3579024

SCHEMBL3579024

Cc1ccc(NC(=O)Oc2ccccc2)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.48
MAPK14 Q16539 4/20 0.48
RIPK1 Q13546 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
KIT P10721 2/20 0.45
KDR P35968 2/20 0.43
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
SRC P12931 2/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL3585208 0.91 LCK (0.43) LCKMAPK14RIPK1RIPK3KDR
SCHEMBL4639353 0.81 MAPK14 (0.58) LCKMAPK14RIPK1RIPK3KIT
SCHEMBL3577243 0.80 LCK (0.45) LCKMAPK14RIPK1RIPK3KIT
SCHEMBL3574725 0.77 EPHX2 (0.45) MCHR1KDM4EEPHX2CYP3A4CYP1A2
SCHEMBL3632649 0.77 CYP1A2 (0.45) LCKMAPK14RIPK1RIPK3KIT
SCHEMBL2974025 0.76 LCK (0.69) LCKMAPK14KITKDRSRC
SCHEMBL2974845 0.76 KIT (0.62) LCKMAPK14RIPK1RIPK3KIT
SCHEMBL4620357 0.75 LCK (0.77) LCKMAPK14KITKDRSRC
SCHEMBL3627509 0.74 EGFR (0.43) LCKMAPK14RIPK1RIPK3KIT
SCHEMBL13499919 0.73 EPHX2 (0.48) EPHX2CYP3A4CYP1A2JAK3BTK

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 LCK 326/4885MAPK14 1894/4885RIPK1 2141/4885

“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.