SCHEMBL13106374

SCHEMBL13106374

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccnc(CF)c3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL110498 0.91 CXCR3 (0.59) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL110977 0.89 CXCR3 (0.56) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL110975 0.89 CXCR3 (0.56) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL112162 0.88 CXCR3 (0.54) CXCR3KCNH2ALDH1A1LMNARECQL
SCHEMBL111833 0.88 CXCR3 (0.61) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL112047 0.87 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL111473 0.87 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TSHRMAPT
SCHEMBL113486 0.87 CXCR3 (0.54) CXCR3KCNH2ALDH1A1TSHRMAPT
SCHEMBL111889 0.86 CXCR3 (0.67) CXCR3KCNH2ALDH1A1TSHRLMNA
SCHEMBL111666 0.86 CXCR3 (0.51) CXCR3KCNH2ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1384/4885ALDH1A1 1720/4885

“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.