SCHEMBL3579827

SCHEMBL3579827

Cc1ncc(NC(=O)NCc2cccc(N3CCOCC3)c2)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.43
RPS6KB1 P23443 2/20 0.43
NAMPT P43490 6/20 0.42
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
CHEK1 O14757 1/20 0.41
EGFR P00533 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALK Q9UM73 1/20 0.38
LMNA P02545 1/20 0.37
AURKB Q96GD4 2/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TTK P33981 1/20 0.36
JAK3 P52333 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
SCHEMBL13500296 0.87 NAMPT (0.44) AURKARPS6KB1NAMPTLCKMAPK14
SCHEMBL3574150 0.85 SMN1; SMN2 (0.45) LCKMAPK14EGFRLMNARIPK1
SCHEMBL3581924 0.83 CNR2 (0.43) LCKMAPK14LMNA
SCHEMBL3663799 0.83 LCK (0.40) AURKARPS6KB1NAMPTLCKMAPK14
SCHEMBL3575970 0.79 AURKA (0.46) AURKARPS6KB1NAMPTLMNAAURKB
SCHEMBL3585208 0.78 LCK (0.43) LCKMAPK14EGFRLMNARIPK1
SCHEMBL4639353 0.78 MAPK14 (0.58) LCKMAPK14RIPK1RIPK3JAK3
SCHEMBL3577243 0.78 LCK (0.45) NAMPTLCKMAPK14EGFRLMNA
SCHEMBL4639012 0.75 LCK (0.50) LCKMAPK14RIPK1RIPK3JAK3
SCHEMBL3571140 0.72 EGFR (0.43) EGFRLMNAJAK2JAK1JAK3

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 2 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

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 AURKA 164/4885RPS6KB1 570/4885NAMPT 134/4885

“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.