SCHEMBL3069022

SCHEMBL3069022

C=CCNC(=O)/C=C/c1c(-c2ccccc2)oc2ncnc(O[C@H](C)CCCCC(=O)O)c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.38
CHEK1 O14757 1/20 0.35
AURKA O14965 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3069029 1.00 EGFR (0.38) EGFRCHEK1AURKANPC1RAB9A
SCHEMBL3079930 0.91 MAP3K7 (0.39) EGFRCHEK1AURKA
SCHEMBL3079927 0.91 MAP3K7 (0.39) EGFRCHEK1AURKA
SCHEMBL13093749 0.91 EGFR (0.35) EGFRAURKANPC1RAB9ASMN1; SMN2
SCHEMBL3062507 0.87 EGFR (0.35) EGFRCHEK1AURKA
SCHEMBL3062503 0.87 EGFR (0.35) EGFRCHEK1AURKA
SCHEMBL3067804 0.86 AURKA (0.37) EGFRCHEK1AURKA
SCHEMBL3067808 0.86 AURKA (0.37) EGFRCHEK1AURKA
SCHEMBL3072332 0.86 AURKA (0.39) EGFRCHEK1AURKA
SCHEMBL3079948 0.85 AURKA (0.36) EGFRCHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 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-20100267749-A1 TRISUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMS EGFR 3016/4885CHEK1 915/4885AURKA 2963/4885

“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.