SCHEMBL4465000

SCHEMBL4465000

CC(C)(C)OC(=O)N1CCC(C(=O)C#C[Si](C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
HPGD P15428 1/20 0.54
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.42
STS P08842 4/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL16095545 0.84 HPGD (0.57) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL28660196 0.82 RECQL (0.50) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL8616609 0.79 RECQL (0.50) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL14412580 0.79 HPGD (0.49) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL8616610 0.79 RECQL (0.50) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL28195249 0.76 HPGD (0.68) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL1736326 0.76 RECQL (0.47) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL4956949 0.76 HSD17B10 (0.52) SMN1; SMN2KMT2AHSD17B10
SCHEMBL2636262 0.75 HPGD (0.55) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL427670 0.75 HPGD (0.58) RECQLHPGDPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 RECQL 2717/4885HPGD 434/4885PTPN2 362/4885

“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.