SCHEMBL4891766

SCHEMBL4891766

COc1ccc(CNc2ncncc2C#Cc2cccc(NC(=O)Nc3nocc3C(C)(C)C)c2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.46
CYP3A4 P08684 16/20 0.46
CYP2C19 P33261 15/20 0.46
CYP2D6 P10635 14/20 0.46
TSHR P16473 11/20 0.46
CLK4 Q9HAZ1 7/20 0.46
MAPK1 P28482 5/20 0.46
USP2 O75604 3/20 0.45
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 7/20 0.44
CYP2C9 P11712 7/20 0.44
LMNA P02545 3/20 0.44
HIF1A Q16665 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 6/20 0.44
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41

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
SCHEMBL4721501 0.87 BRAF (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4892592 0.83 EGFR (0.41) EGFRERBB2
SCHEMBL4720811 0.82 EGFR (0.40) EGFRERBB2KDM4E
SCHEMBL4896850 0.82 EGFR (0.41) EGFRERBB2
SCHEMBL4720750 0.80 EGFR (0.38) EGFRERBB2
SCHEMBL4897449 0.80 EGFR (0.41) MEN1KMT2AEGFRERBB2
SCHEMBL4912909 0.79 EGFR (0.39) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL4718146 0.69 MEN1 (0.48) MEN1KMT2A
SCHEMBL4714761 0.69 FGFR1 (0.38) EGFR
SCHEMBL4719574 0.69 MEN1 (0.48) MEN1KMT2A

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 CYP1A2 2420/4885CYP3A4 4242/4885CYP2C19 3624/4885

“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.