SCHEMBL3581924

SCHEMBL3581924

COc1ccccc1CNC(=O)Nc1cnc(C)c(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
ABL1 P00519 1/20 0.42
CYP2D6 P10635 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
QPCT Q16769 1/20 0.41
ACACB O00763 1/20 0.41
STAT6 P42226 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAP2K1 Q02750 1/20 0.40
KDM4E B2RXH2 2/20 0.40
BRAF P15056 2/20 0.40
LCK P06239 2/20 0.40
MAPK14 Q16539 1/20 0.40
S1PR2 O95136 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3574150 0.91 SMN1; SMN2 (0.45) CYP2D6HSD17B10LMNACYP1A2CYP3A4
SCHEMBL3663799 0.89 LCK (0.40) ABL1LMNALCKMAPK14SMN1; SMN2
SCHEMBL3580884 0.85 MCHR1 (0.45) CNR2LMNAQPCTACACBMCHR1
SCHEMBL3579827 0.83 AURKA (0.43) LMNALCKMAPK14
SCHEMBL3585208 0.82 LCK (0.43) CYP2D6HSD17B10LMNACYP1A2CYP3A4
SCHEMBL3577243 0.81 LCK (0.45) ABL1LMNACYP1A2CYP3A4LCK
SCHEMBL5276497 0.79 SMN1; SMN2 (0.48) CYP2D6HSD17B10LMNACYP1A2CYP3A4
SCHEMBL13500275 0.79 SMN1; SMN2 (0.46) CNR2LMNAQPCTMCHR1KDM4E
SCHEMBL3575312 0.78 NAMPT (0.39) ABL1CYP2D6HSD17B10LMNACYP1A2
SCHEMBL4639012 0.74 LCK (0.50) BRAFLCKMAPK14KDR

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-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
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 CNR2 2531/4885ABL1 81/4885CYP2D6 2151/4885

“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.