SCHEMBL5838280

SCHEMBL5838280

CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 1.00

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
Hydrochloric Acid SCHEMBL5833406 0.99 CXCR3 (0.99) CXCR3
SCHEMBL10087500 0.94 CXCR3 (0.97) CXCR3
SCHEMBL27015149 0.92 CXCR3 (0.87) CXCR3
SCHEMBL5833010 0.91 CXCR3 (1.00) CXCR3
SCHEMBL10107177 0.91 CXCR3 (1.00) CXCR3
Hydrochloric Acid SCHEMBL5832526 0.91 CXCR3 (1.00) CXCR3
SCHEMBL5833894 0.89 CXCR3 (0.85) CXCR3
SCHEMBL13151360 0.85 CXCR3 (0.86) CXCR3
SCHEMBL29386766 0.85 CXCR3 (1.00) CXCR3
SCHEMBL335753 0.85 CXCR3 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067662-B2 CXCR3 antagonists AMGEN SF, LLC (US) 2006-06-27 US disclosed
US-20060116388-A1 CXCR3 antagonists TULARIK, INC. 2006-06-01 US disclosed
US-7053215-B2 Substituted Quinazolin-4(3H)-one compounds, compositions, and methods for their use AMGEN SF, LLC (US) 2006-05-30 US disclosed
US-6964967-B2 Substituted pyrido[2,3-d]pyrimidines and methods for their use AMGEN, INC. (US) 2005-11-15 US disclosed
US-20050075333-A1 CXCR3 antagonists TULARIK INC. 2005-04-07 US disclosed
US-6794379-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; SKIN DISORDERS TULARIK INC. 2004-09-21 US disclosed
US-20030069234-A1 CXCR3 antagonists AMGEN INC. 2003-04-10 US disclosed
US-20030055054-A1 CXCR3 antagonists TULARIK, INC. 2003-03-20 US disclosed
US-20020169159-A1 An acetamide derivative is useful for treatment of inflammatory and immune conditions and diseases; modulates the expressin and/or function of a chemokine receptor TULARIK INC. (US) 2002-11-14 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 (5 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-20050075333-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 CXCR3 1/4885
US-20030069234-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 CXCR3 1/4885
US-20020169159-A1 An acetamide derivative is useful for treatment of inflammatory and immune conditions and diseases; modulates the expressin and/or function of a chemokine receptor CCR2, CCR1, ACKR3 CXCR3 7/4885
US-20060116388-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 CXCR3 1/4885
US-20030055054-A1 CXCR3 antagonists CXCR3, CXCR1, CCR5 CXCR3 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.