SCHEMBL1787517

SCHEMBL1787517

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCN(CCCC(=O)OC=O)C4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
LCK P06239 4/20 0.32
TNK2 Q07912 4/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
JAK2 O60674 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
ZAP70 P43403 1/20 0.32
JAK3 P52333 1/20 0.32
SLC6A1 P30531 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MERTK Q12866 2/20 0.31
SGK1 O00141 1/20 0.31

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
SCHEMBL1787367 0.93 TNK2 (0.36) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
Formic Acid SCHEMBL1787516 0.92 CHRNB4 (0.36) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1787145 0.91 CHRNB4 (0.38) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14467158 0.91 CHRNB4 (0.38) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1787239 0.86 KDM4E (0.41) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14467476 0.86 KDM4E (0.41) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1787400 0.84 EGFR (0.34) EGFRLCKTNK2JAK2SRC
SCHEMBL1786857 0.84 TNK2 (0.43) EGFRLCKTNK2JAK2SRC
SCHEMBL1784266 0.84 TNK2 (0.43) EGFRLCKTNK2JAK2SRC
SCHEMBL1785065 0.84 LCK (0.41) EGFRLCKTNK2JAK2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT EGFR 4141/4885CHRNB4 4839/4885CHRNA3 4817/4885

“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.