SCHEMBL2017626

SCHEMBL2017626

FC(F)(F)c1cnc(N2CCC(n3ncc4c(Oc5ccc(-n6cnnn6)cc5)ncnc43)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
GPR119 Q8TDV5 9/20 0.46
FLT3 P36888 1/20 0.39
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
BRAF P15056 3/20 0.34
KCNH2 Q12809 3/20 0.34
KDR P35968 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL12574298 0.89 GPR119 (0.49) CYP3A4GPR119POLBKMT2A
SCHEMBL2016797 0.89 GPR119 (0.48) CYP3A4GPR119ABL1BCRKCNH2
SCHEMBL2022039 0.88 GPR119 (0.42) CYP3A4GPR119FLT3KCNH2
SCHEMBL2021367 0.87 GPR119 (0.61) CYP3A4GPR119POLBKMT2A
SCHEMBL4352311 0.81 CYP3A4 (0.53) CYP3A4GPR119POLBKMT2A
SCHEMBL12574295 0.79 GPR119 (0.44) CYP3A4GPR119FLT3KCNH2
SCHEMBL2019585 0.79 GPR119 (0.43) CYP3A4GPR119FLT3KCNH2
SCHEMBL1129044 0.78 CYP3A4 (0.70) CYP3A4GPR119
SCHEMBL2021985 0.78 GPR119 (0.52) CYP3A4GPR119
SCHEMBL2017035 0.77 CYP3A4 (0.55) CYP3A4GPR119KCNH2

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-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US claimed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 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-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, GCKR, GID4 CYP3A4 789/4885GPR119 1/4885FLT3 2549/4885

“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.