SCHEMBL3575312

SCHEMBL3575312

CN(C)c1ccccc1CNC(=O)Nc1cncc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
LCK P06239 1/20 0.38
MAPK14 Q16539 1/20 0.38
ABL1 P00519 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.37
EGFR P00533 1/20 0.37
EPHX2 P34913 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5276497 0.89 SMN1; SMN2 (0.48) NAMPTKMT2ACYP3A4EGFRSMN1; SMN2
SCHEMBL3663799 0.89 LCK (0.40) NAMPTRIPK1RIPK3LCKMAPK14
SCHEMBL3580884 0.84 MCHR1 (0.45) LCKMAPK14EPHX2SMN1; SMN2LMNA
SCHEMBL3575970 0.82 AURKA (0.46) NAMPTKMT2AEPHX2SMN1; SMN2LMNA
SCHEMBL3574150 0.79 SMN1; SMN2 (0.45) RIPK1RIPK3LCKMAPK14KMT2A
SCHEMBL3581924 0.78 CNR2 (0.43) LCKMAPK14ABL1MEN1KMT2A
SCHEMBL3577243 0.77 LCK (0.45) NAMPTRIPK1RIPK3LCKMAPK14
SCHEMBL3575251 0.74 SCN2A (0.49) NAMPTRIPK1CYP3A4CYP1A2CYP2C19
SCHEMBL3574725 0.73 EPHX2 (0.45) MEN1KMT2ACYP3A4EGFREPHX2
SCHEMBL3584955 0.73 GAA (0.41) NAMPTLCKMEN1KMT2ACYP3A4

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 NAMPT 134/4885RIPK1 2141/4885RIPK3 2138/4885

“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.