SCHEMBL3967006

SCHEMBL3967006

CS(=O)(=O)c1ccc(Nc2cc(OC3CCN(c4cncc(Br)c4)CC3)ncn2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.63
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL391611 0.86 GPR119 (0.68) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL5201862 0.81 GPR119 (0.70) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL3672449 0.79 GPR119 (0.67) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL390760 0.79 GPR119 (0.69) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL392046 0.79 GPR119 (0.67) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL389458 0.77 GPR119 (0.65) GPR119KCNH2CYP3A4
SCHEMBL386244 0.77 GPR119 (0.79) GPR119CYP3A4CYP2C9
SCHEMBL288892 0.77 GPR119 (1.00) GPR119KCNH2CYP2C9
SCHEMBL390833 0.77 GPR119 (0.68) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL4719718 0.76 GPR119 (0.79) GPR119KCNH2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 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-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 GPR119 1/4885CCNA2 4367/4885CDK2 3187/4885

“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.