SCHEMBL112845

SCHEMBL112845

Cc1cc(C(=O)NCC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
TYK2 P29597 1/20 0.41
GFER P55789 2/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
EIF4H Q15056 1/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
CXCR3 P49682 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
WDR5 P61964 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL110554 0.91 NAMPT (0.47) RAB9AKMT2ATRPV1ALDH1A1KDM4E
SCHEMBL162486 0.86 RAB9A (0.44) RAB9AKMT2ATYK2GFERPOLB
SCHEMBL111877 0.85 TYK2 (0.39) KMT2ATYK2POLBGAATRPV1
SCHEMBL111064 0.81 NAMPT (0.44) RAB9AKMT2ATRPV1KCNH2ALDH1A1
SCHEMBL111833 0.80 CXCR3 (0.61) KMT2ATYK2GAATRPV1KCNH2
SCHEMBL13039602 0.80 KCNH2 (0.60) RAB9AKMT2AGFERPOLBGAA
SCHEMBL13076143 0.79 KMT2A (0.37) RAB9AKMT2AGFERPOLBGAA
SCHEMBL114090 0.79 KMT2A (0.56) RAB9AKMT2APOLBGAAALDH1A1
SCHEMBL112923 0.78 SMN1; SMN2 (0.56) KMT2APOLBGAAALDH1A1KDM4E
SCHEMBL111857 0.78 TRPV1 (0.47) RAB9AKMT2ATYK2POLBTRPV1

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 6 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
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
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 1421/4885KMT2A 3794/4885TYK2 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.