SCHEMBL3499250

SCHEMBL3499250

COC(=O)C(Cc1ccc(OCc2ccoc2)cc1)NC(=O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.44
ACACB O00763 1/20 0.40
GPR34 Q9UPC5 1/20 0.39
CNR1 P21554 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PPARG P37231 1/20 0.37
PTPN1 P18031 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMPD1 P17405 1/20 0.37

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
SCHEMBL3499251 1.00 CDK2 (0.44) CDK2ACACBGPR34CNR1HDAC1
SCHEMBL3499101 0.93 GPR34 (0.46) CDK2ACACBGPR34PPARGPTPN1
SCHEMBL3499099 0.93 GPR34 (0.46) CDK2ACACBGPR34PPARGPTPN1
SCHEMBL3498158 0.90 GPR34 (0.49) CDK2GPR34CNR1PPARGPTPN1
SCHEMBL3498155 0.90 GPR34 (0.49) CDK2GPR34CNR1PPARGPTPN1
SCHEMBL3499603 0.87 CDK2 (0.46) CDK2ACACBGPR34HDAC1HDAC6
SCHEMBL3499600 0.87 CDK2 (0.46) CDK2ACACBGPR34HDAC1HDAC6
SCHEMBL3499890 0.83 GPR34 (0.58) GPR34PPARGPTPN1
SCHEMBL3499888 0.83 GPR34 (0.58) GPR34PPARGPTPN1
SCHEMBL3498413 0.81 GPR34 (0.51) CDK2ACACBGPR34PTPN1

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 2075/4885ACACB 2653/4885GPR34 1/4885

“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.