SCHEMBL3726632

SCHEMBL3726632

COc1ncc(-c2cc(F)ccc2N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc43)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ GRIN1 Q05586 6/20 0.47
▸ GRIN2B Q13224 6/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ HTR7 P34969 5/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TACR1 P25103 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
SCHEMBL163879 0.88 CXCR3 (0.62) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL168189 0.88 CXCR3 (0.54) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL166876 0.88 CXCR3 (0.59) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL168188 0.87 CXCR3 (0.51) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL3732635 0.85 CXCR3 (0.59) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL167757 0.85 CXCR3 (0.73) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL164210 0.83 CXCR3 (0.60) CXCR3KCNH2GRIN1GRIN2BMAPT
SCHEMBL113544 0.78 ADRA1B (0.45) GRIN2BMAPT
SCHEMBL15925539 0.77 CXCR3 (0.44) CXCR3KCNH2GRIN1GRIN2B
SCHEMBL13076713 0.77 MAPT (0.42) CXCR3KCNH2GRIN1GRIN2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885GRIN1 677/4885

“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.

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