SCHEMBL112660

SCHEMBL112660

COc1ncc(-c2ccccc2N2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CXCR3 P49682 12/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.43

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
SCHEMBL115433 0.80 MAPT (0.47) LMNASMN1; SMN2CXCR3ALDH1A1MAPT
SCHEMBL113431 0.80 POLB (0.57) LMNATP53CXCR3MAPTL3MBTL1
SCHEMBL162487 0.80 ALDH1A1 (0.57) LMNAHTTSMN1; SMN2CXCR3ALDH1A1
SCHEMBL3724570 0.80 GAA (0.53) LMNASMN1; SMN2CXCR3ALDH1A1MAPT
SCHEMBL3735656 0.79 MAPT (0.47) LMNASMN1; SMN2CXCR3MAPTKCNH2
SCHEMBL3732667 0.77 CXCR3 (0.47) LMNAHTTTP53SMN1; SMN2CXCR3
SCHEMBL3734735 0.77 ALDH1A1 (0.64) HTTTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL3735389 0.77 L3MBTL1 (0.45) LMNASMN1; SMN2CXCR3MAPTL3MBTL1
SCHEMBL113467 0.77 CXCR3 (0.53) LMNATP53SMN1; SMN2CXCR3MAPT
SCHEMBL161561 0.77 CXCR3 (0.48) SMN1; SMN2CXCR3ALDH1A1MAPTL3MBTL1

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 12 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
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP 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
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO 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 LMNA 4200/4885HTT 4560/4885TP53 2357/4885

“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.