SCHEMBL4897449

SCHEMBL4897449

CC(C)(C)c1conc1NC(=O)Nc1cccc(C#Cc2cncnc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.41
ERBB2 P04626 7/20 0.41
KDR P35968 6/20 0.36
PDGFRB P09619 3/20 0.36
IMPDH2 P12268 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EIF2AK2 P19525 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL4892592 0.90 EGFR (0.41) EGFRERBB2KDRPDGFRBIMPDH2
SCHEMBL4896850 0.84 EGFR (0.41) EGFRERBB2KDRPDGFRB
SCHEMBL4720811 0.82 EGFR (0.40) EGFRERBB2EIF2AK2
SCHEMBL4717449 0.82 KMT2A (0.53) PDGFRBNPC1RAB9AMEN1KMT2A
SCHEMBL4912909 0.81 EGFR (0.39) EGFRERBB2MEN1KMT2A
SCHEMBL4720750 0.80 EGFR (0.38) EGFRERBB2
SCHEMBL4891766 0.80 CYP1A2 (0.46) EGFRERBB2MEN1KMT2A
SCHEMBL4718840 0.78 MAPK14 (0.54) ERBB2
SCHEMBL5319652 0.76 EGFR (0.44) EGFRERBB2KDRPDGFRB
SCHEMBL4714761 0.74 FGFR1 (0.38) EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 EGFR 369/4885ERBB2 38/4885KDR 5/4885

“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.