SCHEMBL1894544

SCHEMBL1894544

CCS(=O)(=O)CCNC(C)c1nc2ncccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 19/20 0.59
CYP3A4 P08684 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 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
SCHEMBL1894543 1.00 CXCR3 (0.59) CXCR3CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL14178881 0.92 CXCR3 (0.52) CXCR3CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL12659743 0.90 CXCR3 (0.54) CXCR3CYP3A4
SCHEMBL1895439 0.89 PIK3CD (0.48) CXCR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1895441 0.89 PIK3CD (0.48) CXCR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12659732 0.81 PIK3CD (0.48) CXCR3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14178906 0.81 CXCR3 (0.47) CXCR3CYP3A4
SCHEMBL12659730 0.81 CXCR3 (0.53) CXCR3CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL1886849 0.79 CXCR3 (0.45) CXCR3CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL1886850 0.79 CXCR3 (0.45) CXCR3CYP3A4PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939538-B2 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN INC. (US) 2011-05-10 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC 2006-03-30 US disclosed
US-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases AMGEN SF, LLC 2006-03-30 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 (2 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-20060069099-A1 Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases MSR1, TNF, HLA-DRB1 CXCR3 85/4885CYP3A4 1459/4885PIK3CD 4073/4885
US-20060069106-A1 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use IFNG, IRF3, TBXA2R CXCR3 10/4885CYP3A4 326/4885PIK3CD 1536/4885

“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.