SCHEMBL3663799

SCHEMBL3663799

Cc1ncc(NC(=O)NCc2ccccc2N(C)C)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.40
MAPK14 Q16539 2/20 0.40
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
ABL1 P00519 2/20 0.37
EPHX2 P34913 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NAMPT P43490 1/20 0.36
CNR1 P21554 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDR P35968 1/20 0.35
MAPK1 P28482 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL3581924 0.89 CNR2 (0.43) LCKMAPK14LMNAABL1SMN1; SMN2
SCHEMBL3575312 0.89 NAMPT (0.39) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL3579827 0.83 AURKA (0.43) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL3577243 0.81 LCK (0.45) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL3585208 0.80 LCK (0.43) LCKMAPK14RIPK1RIPK3EGFR
SCHEMBL5276497 0.78 SMN1; SMN2 (0.48) EGFRLMNASMN1; SMN2KMT2ANAMPT
SCHEMBL3580884 0.75 MCHR1 (0.45) LCKMAPK14LMNAEPHX2SMN1; SMN2
SCHEMBL4639012 0.74 LCK (0.50) LCKMAPK14RIPK1RIPK3KDR
SCHEMBL3571140 0.72 EGFR (0.43) EGFRLMNAMEN1KMT2ABACE1

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 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.