SCHEMBL3585208

SCHEMBL3585208

Cc1ncc(NC(=O)Oc2ccccc2)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
MAPK14 Q16539 3/20 0.43
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
EPHX2 P34913 2/20 0.41
EGFR P00533 1/20 0.41
TSHR P16473 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK13 O15264 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL3579024 0.91 LCK (0.48) LCKMAPK14RIPK1RIPK3EPHX2
SCHEMBL3581924 0.82 CNR2 (0.43) LCKMAPK14MEN1KMT2AHSD17B10
SCHEMBL3574150 0.82 SMN1; SMN2 (0.45) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL3663799 0.80 LCK (0.40) LCKMAPK14RIPK1RIPK3EPHX2
SCHEMBL3574725 0.79 EPHX2 (0.45) EPHX2EGFRMEN1KMT2AALDH1A1
SCHEMBL3579827 0.78 AURKA (0.43) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL4639012 0.78 LCK (0.50) LCKMAPK14RIPK1RIPK3KDR
SCHEMBL30947446 0.77 HAO1 (0.42) ALDH1A1GAAMAPTCYP1A2
SCHEMBL3571140 0.76 EGFR (0.43) EGFRTSHRMEN1KMT2AHSD17B10
SCHEMBL13499919 0.75 EPHX2 (0.48) EPHX2MAPTLMNACYP1A2CYP3A4

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.