SCHEMBL10105772

SCHEMBL10105772

CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
FLT1 P17948 2/20 0.52
FGFR1 P11362 1/20 0.52
GPR119 Q8TDV5 1/20 0.46
CLK1 P49759 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
MKNK2 Q9HBH9 9/20 0.43
MKNK1 Q9BUB5 8/20 0.43
EIF4E P06730 2/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
THRB P10828 1/20 0.43
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
EGFR P00533 1/20 0.40
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL10105774 0.86 GPR119 (0.46) KDRFLT1FGFR1GPR119MKNK2
SCHEMBL10120452 0.86 KDR (0.61) KDRFLT1FGFR1GPR119CLK1
SCHEMBL10120569 0.84 EIF4E (0.51) KDRFLT1FGFR1GPR119MKNK2
SCHEMBL10105801 0.84 MKNK2 (0.39) KDRFLT1FGFR1GPR119MKNK2
SCHEMBL10105769 0.83 FLT1 (0.49) KDRFLT1FGFR1GPR119RAF1
SCHEMBL10105802 0.83 GPR119 (0.54) GPR119MKNK2
SCHEMBL10105795 0.77 GPR119 (0.40) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10120666 0.76 GPR119 (0.59) GPR119MKNK2MKNK1EIF4E
SCHEMBL10105808 0.76 GPR119 (0.41) KDRFLT1FGFR1GPR119MKNK2
SCHEMBL10108025 0.76 GPR119 (0.43) KDRFLT1FGFR1GPR119RAF1

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R KDR 464/4885FLT1 850/4885FGFR1 131/4885

“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.