SCHEMBL159774

SCHEMBL159774

O=C(Nc1ccncc1)c1ccccc1N1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL158033 0.86 POLB (0.58) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL110281 0.79 ALDH1A1 (0.44) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL111730 0.79 GAA (0.57) KMT2ATP53LMNAALDH1A1SMN1; SMN2
SCHEMBL3101690 0.78 HSD17B10 (0.55) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL113050 0.78 TRPV1 (0.44) LMNAALDH1A1SMN1; SMN2TRPV1KDM4E
SCHEMBL3105119 0.77 TRPV1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TRPV1
SCHEMBL111833 0.77 CXCR3 (0.61) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL111886 0.77 ADRA1D (0.44) SMN1; SMN2TRPV1KDM4E
SCHEMBL114767 0.76 CDK8 (0.44) MAPTLMNAP2RX7ALDH1A1SMN1; SMN2
SCHEMBL113789 0.76 CXCR3 (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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 KMT2A 3794/4885MEN1 3298/4885MAPT 4772/4885

“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.