SCHEMBL114882

SCHEMBL114882

Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C#N)cc3-c3cnc(N4CCOCC4)nc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.53
KCNH2 Q12809 2/20 0.53
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A9 P48067 3/20 0.40
SLC6A5 Q9Y345 3/20 0.40
RET P07949 1/20 0.39
TNIK Q9UKE5 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
PDE4B Q07343 1/20 0.37
SMO Q99835 1/20 0.37
FASN P49327 1/20 0.37
AOC3 Q16853 1/20 0.37
LMNA P02545 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.37
GRIN2B Q13224 1/20 0.36

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
SCHEMBL3728380 0.88 CXCR3 (0.56) CXCR3KCNH2MEN1KMT2AALDH1A1
SCHEMBL3743157 0.88 CXCR3 (0.55) CXCR3KCNH2MEN1KMT2AALDH1A1
SCHEMBL115730 0.87 CXCR3 (0.56) CXCR3KCNH2KMT2AALDH1A1LMNA
SCHEMBL3729048 0.87 CXCR3 (0.71) CXCR3KCNH2MEN1KMT2AALDH1A1
SCHEMBL112744 0.86 CXCR3 (0.55) CXCR3KCNH2KMT2AALDH1A1TNIK
SCHEMBL114901 0.86 CXCR3 (0.55) CXCR3KCNH2KMT2AALDH1A1LMNA
SCHEMBL3728657 0.85 CXCR3 (0.53) CXCR3KCNH2MEN1KMT2AALDH1A1
SCHEMBL160473 0.84 CXCR3 (0.67) CXCR3KCNH2MEN1KMT2AALDH1A1
SCHEMBL168793 0.81 CXCR3 (0.60) CXCR3KCNH2ALDH1A1EIF2AK3GRIN2B
SCHEMBL3728431 0.80 CXCR3 (0.75) CXCR3KCNH2KMT2AALDH1A1LMNA

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
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
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 1561/4885MEN1 4012/4885

“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.