SCHEMBL110281

SCHEMBL110281

Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccccc2C(=O)Nc2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TSHR P16473 2/20 0.41
TYK2 P29597 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL111730 0.82 GAA (0.57) ALDH1A1SMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL158033 0.81 POLB (0.58) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL159774 0.79 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL162320 0.79 CXCR3 (0.51) ALDH1A1SMN1; SMN2TYK2LMNAHTT
SCHEMBL3101690 0.77 HSD17B10 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL113050 0.76 TRPV1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBTYK2
SCHEMBL3105119 0.76 TRPV1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL111833 0.76 CXCR3 (0.61) ALDH1A1SMN1; SMN2KMT2AHSD17B10MAPT
SCHEMBL111857 0.76 TRPV1 (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EPOLB
SCHEMBL111886 0.75 ADRA1D (0.44) SMN1; SMN2KDM4ETYK2HTT

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 ALDH1A1 1720/4885SMN1; SMN2 4561/4885MEN1 3298/4885

“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.