SCHEMBL110553

SCHEMBL110553

Cc1nc(C)c(C(=O)N(C)CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
TYK2 P29597 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
SIGLEC9 Q9Y336 1/20 0.37
PRMT3 O60678 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL111736 0.84 MAPT (0.44) RAB9ATYK2TRPV1SMN1; SMN2NPC1
SCHEMBL111377 0.83 CXCR3 (0.46) RAB9ARECQLTYK2TRPV1SMN1; SMN2
SCHEMBL111940 0.81 KMT2A (0.51) RAB9ANPC1LMNAPOLBMAPT
SCHEMBL112787 0.81 TYK2 (0.43) TYK2TRPV1SMN1; SMN2LMNAPOLB
SCHEMBL159855 0.80 TRPV1 (0.40) TYK2TRPV1SMN1; SMN2KDM4EHTT
SCHEMBL111877 0.80 TYK2 (0.39) TYK2TRPV1PRMT3POLBALDH1A1
SCHEMBL111068 0.78 JAK2 (0.46) RAB9ASMN1; SMN2NPC1TP53LMNA
SCHEMBL111865 0.78 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL111134 0.77 SIGLEC9 (0.49) RAB9ARECQLTRPV1SIGLEC9SMN1; SMN2
SCHEMBL114399 0.76 ALDH1A1 (0.43) TYK2TRPV1SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
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 RAB9A 1421/4885RECQL 958/4885TYK2 1297/4885

“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.