SCHEMBL4639012

SCHEMBL4639012

Cc1ncc(NC(=O)c2cccc(C(C)C#N)c2)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.50
MAPK14 Q16539 3/20 0.50
RAF1 P04049 14/20 0.46
BRAF P15056 14/20 0.46
RIPK1 Q13546 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
KDR P35968 2/20 0.42
SRC P12931 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK10 P53779 1/20 0.42
BTK Q06187 1/20 0.42
GCK P35557 1/20 0.42

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
SCHEMBL4639236 0.85 MAPK14 (0.52) LCKMAPK14BRAFRIPK1RIPK3
SCHEMBL14108034 0.79 MAPK14 (0.54) LCKMAPK14RAF1BRAFRIPK1
SCHEMBL3585208 0.78 LCK (0.43) LCKMAPK14RIPK1RIPK3KDR
SCHEMBL4639353 0.77 MAPK14 (0.58) LCKMAPK14RAF1BRAFRIPK1
SCHEMBL3574150 0.75 SMN1; SMN2 (0.45) LCKMAPK14RIPK1RIPK3MAPK8
SCHEMBL3579827 0.75 AURKA (0.43) LCKMAPK14RIPK1RIPK3JAK3
SCHEMBL3581924 0.74 CNR2 (0.43) LCKMAPK14BRAFKDR
SCHEMBL3663799 0.74 LCK (0.40) LCKMAPK14RIPK1RIPK3KDR
SCHEMBL2974025 0.73 LCK (0.69) LCKMAPK14RAF1KDRSRC
SCHEMBL4620357 0.72 LCK (0.77) LCKMAPK14RAF1BRAFKDR

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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 LCK 902/4885MAPK14 3097/4885RAF1 2732/4885

“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.