SCHEMBL3497396

SCHEMBL3497396

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.48
GPR34 Q9UPC5 3/20 0.47
PYGL P06737 1/20 0.44
PPARG P37231 1/20 0.44
YAP1 P46937 4/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.42
ERAP2 Q6P179 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
CNR1 P21554 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL3497399 1.00 CDK2 (0.48) CDK2GPR34PYGLPPARGYAP1
SCHEMBL3498134 0.93 GPR34 (0.55) GPR34PPARGBCL2L1MCL1PTPN1
SCHEMBL3498131 0.93 GPR34 (0.55) GPR34PPARGBCL2L1MCL1PTPN1
SCHEMBL3498075 0.92 CDK2 (0.54) CDK2GPR34PPARGYAP1GAA
SCHEMBL3498073 0.92 CDK2 (0.54) CDK2GPR34PPARGYAP1GAA
SCHEMBL3497393 0.91 GPR34 (0.55) CDK2GPR34PYGLPPARGYAP1
SCHEMBL3497391 0.91 GPR34 (0.55) CDK2GPR34PYGLPPARGYAP1
SCHEMBL3502020 0.86 RAB9A (0.48) CDK2GPR34PPARGYAP1GAA
SCHEMBL3502021 0.86 RAB9A (0.48) CDK2GPR34PPARGYAP1GAA
SCHEMBL3501082 0.86 GPR34 (0.49) CDK2GPR34PYGLPPARGYAP1

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CDK2 2075/4885GPR34 1/4885PYGL 4325/4885

“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.