SCHEMBL4896850

SCHEMBL4896850

CN(C)CCNc1ncncc1C#Cc1cccc(NC(=O)Nc2nocc2C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
ERBB2 P04626 7/20 0.41
AURKA O14965 8/20 0.35
AURKB Q96GD4 3/20 0.34
FLT3 P36888 2/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
KDR P35968 3/20 0.33
PDGFRB P09619 2/20 0.33
RPS6KB1 P23443 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL4720811 0.95 EGFR (0.40) EGFRERBB2AURKAAURKBFLT3
SCHEMBL4892592 0.87 EGFR (0.41) EGFRERBB2AURKAKDRPDGFRB
SCHEMBL4912909 0.86 EGFR (0.39) EGFRERBB2AURKAAURKBGCK
SCHEMBL4720750 0.85 EGFR (0.38) EGFRERBB2AURKAAURKB
SCHEMBL4717784 0.85 BRAF (0.46) FLT3
SCHEMBL4897449 0.84 EGFR (0.41) EGFRERBB2KDRPDGFRB
SCHEMBL4891766 0.82 CYP1A2 (0.46) EGFRERBB2
SCHEMBL4718597 0.81 BRAF (0.46) FLT3CSF1RKDRPDGFRB
SCHEMBL4723181 0.81 BRAF (0.45) FLT3
SCHEMBL4718146 0.76 MEN1 (0.48) FLT3CSF1RPDGFRB

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 38/4885AURKA 205/4885

“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.