SCHEMBL115274

SCHEMBL115274

N#Cc1ccc(-c2ccccc2N2CCN(C(=O)CNc3nccs3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
CTSA P10619 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.38
PTGS2 P35354 1/20 0.37
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CXCR3 P49682 1/20 0.36
KCNH2 Q12809 1/20 0.36
RAB9A P51151 2/20 0.36
PDE10A Q9Y233 1/20 0.36
JAK2 O60674 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A7 Q99884 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL13077192 0.86 KMT2A (0.39) LMNAKMT2AGFERPTGS2GRIN2B
SCHEMBL3727130 0.86 CXCR3 (0.48) LMNAKMT2AGFERPTGS2GRIN2B
SCHEMBL114927 0.84 CHEK1 (0.40) CHEK1GRIN2BSMN1; SMN2CXCR3KCNH2
SCHEMBL163411 0.84 PTGS2 (0.42) LMNAKMT2AGFERPTGS2SMN1; SMN2
SCHEMBL115798 0.83 HTR1A (0.42) LMNAKMT2AGFERPTGS2GRIN2B
SCHEMBL114199 0.81 PTGS2 (0.42) LMNAKMT2AGFERPTGS2SMN1; SMN2
SCHEMBL112087 0.73 CYP1A2 (0.48) LMNAKMT2AGFERSMN1; SMN2RAB9A
SCHEMBL115019 0.73 SMN1; SMN2 (0.53) LMNAKMT2ASMN1; SMN2RAB9AGAA
SCHEMBL113751 0.73 CXCR3 (0.49) CHEK1KMT2AGRIN2BSMN1; SMN2CXCR3
SCHEMBL115583 0.72 CXCR3 (0.72) LMNAKMT2AGRIN2BSMN1; SMN2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CHEK1 1548/4885CTSA 2690/4885LMNA 4200/4885

“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.