SCHEMBL4719225

SCHEMBL4719225

Nc1ncnc(N)c1C#Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.48
KDR P35968 12/20 0.45
PDGFRB P09619 2/20 0.45
RIPK1 Q13546 3/20 0.45
FLT1 P17948 6/20 0.43
KIT P10721 5/20 0.43
TEK Q02763 4/20 0.43
FLT3 P36888 4/20 0.43
AURKA O14965 3/20 0.43
LCK P06239 3/20 0.43
LYN P07948 3/20 0.43
FLT4 P35916 3/20 0.43
BLK P51451 3/20 0.43
AURKB Q96GD4 3/20 0.43
ROCK2 O75116 2/20 0.43
CHEK2 O96017 2/20 0.43
NTRK1 P04629 2/20 0.43
CDK1 P06493 2/20 0.43
FGFR1 P11362 2/20 0.43
RPS6KB1 P23443 2/20 0.43

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
SCHEMBL4719769 0.89 IDH2 (0.55) IDH2KDRRIPK1FLT1KIT
SCHEMBL4718055 0.82 KDR (0.61) KDRPDGFRBRIPK1FLT1KIT
SCHEMBL4717542 0.78 BAZ1A (0.54) KDRRIPK1FLT1KITTEK
SCHEMBL4714365 0.78 LCK (0.65) IDH2KDRPDGFRBRIPK1TEK
SCHEMBL4720436 0.77 TEK (0.61) KDRRIPK1FLT1KITTEK
SCHEMBL4875472 0.77 PTK2 (0.56) IDH2KDRPDGFRBRIPK1FLT1
SCHEMBL3236450 0.75 RET (0.44) IDH2KDRPDGFRBRIPK1FLT1
SCHEMBL27649217 0.74 ADK (0.38) KDRPDGFRBTEKLCKDYRK1A
SCHEMBL4717817 0.74 RAB9A (0.45) KDRPDGFRBFLT1KITTEK
SCHEMBL5241624 0.73 RIPK1 (0.50) IDH2KDRPDGFRBRIPK1FLT1

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 IDH2 740/4885KDR 5/4885PDGFRB 8/4885

“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.