SCHEMBL3499397

SCHEMBL3499397

COC(=O)C(Cc1ccc(OCc2ccc(C#N)cc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.48
YAP1 P46937 2/20 0.43
GPR34 Q9UPC5 3/20 0.43
PTPN1 P18031 1/20 0.39
CNR1 P21554 1/20 0.39
NLRP3 Q96P20 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
PPARG P37231 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SMPD1 P17405 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 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
SCHEMBL3499399 1.00 CDK2 (0.48) CDK2YAP1GPR34PTPN1CNR1
SCHEMBL3497044 0.95 CDK2 (0.53) CDK2YAP1GPR34PTPN1PPARG
SCHEMBL3497042 0.95 CDK2 (0.53) CDK2YAP1GPR34PTPN1PPARG
SCHEMBL3500458 0.92 GPR34 (0.52) CDK2GPR34PTPN1ADAMTS4MMP13
SCHEMBL3500460 0.92 GPR34 (0.52) CDK2GPR34PTPN1ADAMTS4MMP13
SCHEMBL3499627 0.92 CDK2 (0.50) CDK2YAP1GPR34PTPN1PPARG
SCHEMBL3500205 0.92 CDK2 (0.50) CDK2YAP1GPR34PTPN1BCL2
SCHEMBL3499625 0.92 CDK2 (0.50) CDK2YAP1GPR34PTPN1PPARG
SCHEMBL3497029 0.92 GPR34 (0.53) CDK2YAP1GPR34PTPN1PPARG
SCHEMBL3500203 0.92 CDK2 (0.50) CDK2YAP1GPR34PTPN1BCL2

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 2075/4885YAP1 1692/4885GPR34 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.