SCHEMBL4720436

SCHEMBL4720436

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.61
LCK P06239 4/20 0.61
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ABL1 P00519 3/20 0.55
BCR P11274 2/20 0.55
KDR P35968 9/20 0.55
FLT1 P17948 4/20 0.55
KIT P10721 4/20 0.55
AURKA O14965 3/20 0.55
AURKB Q96GD4 3/20 0.55
FLT3 P36888 3/20 0.55
RIPK1 Q13546 2/20 0.55
ROCK2 O75116 2/20 0.55
CHEK2 O96017 2/20 0.55
NTRK1 P04629 2/20 0.55
CDK1 P06493 2/20 0.55

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
SCHEMBL4717542 0.92 BAZ1A (0.54) TEKLCKMEN1MAPTHTT
SCHEMBL4719769 0.90 IDH2 (0.55) TEKLCKMEN1KMT2AABL1
SCHEMBL4715351 0.87 LCK (0.78) TEKLCKMEN1MAPTHTT
SCHEMBL4717797 0.87 MEN1 (0.57) TEKLCKMEN1MAPTHTT
SCHEMBL4719226 0.86 KDR (0.58) TEKLCKMEN1MAPTHTT
SCHEMBL4718548 0.85 AURKB (0.49) TEKLCKMEN1RAB9AKMT2A
SCHEMBL4717158 0.83 NLRP3 (0.56) TEKLCKMEN1MAPTKMT2A
SCHEMBL4717500 0.82 GRM5 (0.50) MEN1MAPTKMT2AKDRLIMK1
SCHEMBL4719248 0.82 PTPN11 (0.50) TEKLCKMEN1MAPTRAB9A
SCHEMBL5251355 0.81 KDR (0.54) TEKLCKMEN1MAPTHTT

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 TEK 2/4885LCK 426/4885MEN1 1106/4885

“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.