SCHEMBL18092522

SCHEMBL18092522

CCOc1ccc(-n2c(CCN(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.73
CYP3A4 P08684 1/20 0.56

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
SCHEMBL433440 0.89 CXCR3 (0.71) CXCR3CYP3A4
SCHEMBL29411739 0.85 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL22965110 0.85 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL15064525 0.85 CXCR3 (1.00) CXCR3CYP3A4
SCHEMBL7021043 0.84 CXCR3 (0.62) CXCR3CYP3A4
SCHEMBL16209820 0.82 CXCR3 (0.73) CXCR3CYP3A4
SCHEMBL3103736 0.81 CXCR3 (0.60) CXCR3CYP3A4
Trifluoroacetic Acid SCHEMBL7020020 0.76 CXCR3 (0.53) CXCR3
SCHEMBL4812922 0.76 CXCR3 (0.84) CXCR3
SCHEMBL4812909 0.76 CXCR3 (0.84) CXCR3

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-20230321063-A1 COMPOSITIONS AND METHODS TO REDUCE NEUROINFLAMMATION SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2023-10-12 US disclosed
US-20180022810-A1 USE OF CXCR3 INHIBITORS FOR PROTECTING AGAINST FETAL WASTAGE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-01-25 US disclosed
US-20160281165-A1 METHODS FOR DIAGNOSING, SCREENING, IDENTIFYING, MONITORING, AND TREATING ADVERSE LOCAL TISSUE REACTIONS, WHICH LEAD TO FAILURE OF ORTHOPEDIC IMPLANTS NEW YORK SOCIETY FOR THE RELIEF OF THE RUPTURED AND CRIPPLED, MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY 2016-09-29 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-20230321063-A1 COMPOSITIONS AND METHODS TO REDUCE NEUROINFLAMMATION CXCR3, MTOR, CX3CR1 CXCR3 1/4885CYP3A4 4721/4885

“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.