SCHEMBL4912909

SCHEMBL4912909

CC(C)(C)c1conc1NC(=O)Nc1cccc(C#Cc2cncnc2NCCN2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
ERBB2 P04626 3/20 0.39
GCK P35557 2/20 0.36
BRAF P15056 5/20 0.36
AURKA O14965 3/20 0.36
AURKB Q96GD4 1/20 0.36
RAF1 P04049 5/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4720750 0.95 EGFR (0.38) EGFRERBB2BRAFAURKAAURKB
SCHEMBL4714761 0.88 FGFR1 (0.38) EGFRGCKBRAFAURKAAURKB
SCHEMBL4719655 0.86 BRAF (0.49) BRAFAURKARAF1MEN1KMT2A
SCHEMBL4896850 0.86 EGFR (0.41) EGFRERBB2GCKAURKAAURKB
SCHEMBL4721535 0.85 BRAF (0.48) BRAFAURKARAF1MEN1KMT2A
SCHEMBL4720811 0.85 EGFR (0.40) EGFRERBB2BRAFAURKAAURKB
SCHEMBL4892592 0.84 EGFR (0.41) EGFRERBB2BRAFAURKA
SCHEMBL4719736 0.82 BRAF (0.51) BRAFRAF1
SCHEMBL4719244 0.81 BRAF (0.49) BRAFRAF1
SCHEMBL4897449 0.81 EGFR (0.41) EGFRERBB2MEN1KMT2A

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 38/4885GCK 2909/4885

“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.