SCHEMBL2222549

SCHEMBL2222549

O=C(CC1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2)CC1)Nc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 3/20 0.51
USP2 O75604 1/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CSF1R P07333 1/20 0.48
ALDH1A1 P00352 4/20 0.47
BRAF P15056 1/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL2221638 0.86 CXCR3 (0.78) CXCR3MEN1KMT2ACSF1RALDH1A1
SCHEMBL2269616 0.82 CXCR3 (0.65) CXCR3MEN1KMT2ACSF1RBRAF
SCHEMBL12516603 0.82 KMT2A (0.69) CXCR3MEN1KMT2ATSHRCYP1A2
SCHEMBL2222302 0.81 MEN1 (0.61) CXCR3MEN1KMT2ATSHRCYP1A2
SCHEMBL2221970 0.79 CXCR3 (0.67) CXCR3MEN1KMT2ARAB9AMAPT
SCHEMBL2272677 0.78 CXCR3 (0.68) CXCR3MEN1KMT2ABRAFRAB9A
SCHEMBL14659929 0.78 MEN1 (0.56) CXCR3MEN1KMT2ATSHRUSP2
SCHEMBL12516604 0.78 MEN1 (0.61) CXCR3MEN1KMT2ATSHRCYP1A2
SCHEMBL2221486 0.77 MEN1 (0.72) CXCR3MEN1KMT2ATSHRCYP1A2
SCHEMBL12516598 0.75 KMT2A (0.56) CXCR3MEN1KMT2AUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885MEN1 3640/4885KMT2A 3936/4885

“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.