SCHEMBL1787400

SCHEMBL1787400

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
TNK2 Q07912 15/20 0.33
LCK P06239 8/20 0.33
JAK2 O60674 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
MERTK Q12866 1/20 0.32
AURKA O14965 2/20 0.32
LRRK2 Q5S007 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
SCHEMBL4750648 0.86 LCK (0.41) EGFRTNK2LCKJAK2SRC
SCHEMBL1785065 0.86 LCK (0.41) EGFRTNK2LCKJAK2SRC
SCHEMBL1787517 0.84 EGFR (0.35) EGFRTNK2LCKJAK2SRC
SCHEMBL3124995 0.84 MERTK (0.34) TNK2LCKKDRMERTKAURKA
Formic Acid SCHEMBL1787516 0.83 CHRNB4 (0.36) EGFRTNK2LCKJAK2SRC
SCHEMBL1787145 0.83 CHRNB4 (0.38) EGFRTNK2LCKJAK2SRC
SCHEMBL14467158 0.83 CHRNB4 (0.38) EGFRTNK2LCKJAK2SRC
SCHEMBL4788723 0.82 MERTK (0.34) EGFRTNK2LCKMERTKAURKA
Formic Acid SCHEMBL1787399 0.82 ALOX5AP (0.38) EGFRTNK2MERTK
SCHEMBL3125001 0.82 AURKA (0.36) EGFRTNK2LCKMERTKAURKA

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 4141/4885TNK2 1169/4885LCK 840/4885

“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.