SCHEMBL4714883

SCHEMBL4714883

COc1cccc(NC(=O)Nc2cccc(C#Cc3cnc(N)nc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 5/20 0.53
KMT2A Q03164 5/20 0.53
MITF O75030 1/20 0.52
MEN1 O00255 4/20 0.51
RAF1 P04049 2/20 0.51
FLT3 P36888 2/20 0.51
LCK P06239 1/20 0.51
TEK Q02763 1/20 0.51
BRAF P15056 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
JAK2 O60674 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4714719 0.92 TP53 (0.57) CDK8TP53TSHRALDH1A1NPC1
SCHEMBL4638802 0.88 LCK (0.64) TP53TSHRALDH1A1NPC1RAB9A
SCHEMBL4716314 0.88 MAPT (0.57) TP53ALDH1A1NPC1RAB9AMAPT
SCHEMBL4718487 0.87 TP53 (0.54) CDK8TP53TSHRALDH1A1NPC1
SCHEMBL4720860 0.85 KDR (0.57) TP53TSHRALDH1A1NPC1RAB9A
SCHEMBL4715250 0.85 USP2 (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4719789 0.84 LCK (0.54) TP53ALDH1A1MAPTKMT2AMEN1
SCHEMBL4717670 0.83 LCK (0.55) CDK8TP53ALDH1A1NPC1RAB9A
SCHEMBL4715827 0.83 MEN1 (0.60) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4717465 0.82 LCK (0.56) CDK8TP53NPC1RAB9AKMT2A

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 CDK8 806/4885TP53 3065/4885TSHR 2965/4885

“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.