SCHEMBL19947310

SCHEMBL19947310

Brc1cncc(NC2CCN(C3COC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.44
L3MBTL4 Q8NA19 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
AXL P30530 1/20 0.33
CXCR3 P49682 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
KAT2B Q92831 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL22237313 0.84 RIPK2 (0.48) RIPK2IRAK4AXLKAT2B
SCHEMBL19947431 0.81 RIPK2 (0.42) RIPK2IRAK4CXCR3CHRNB2CHRNB4
SCHEMBL19947433 0.81 RIPK2 (0.42) RIPK2IRAK4CXCR3CHRNB2CHRNB4
SCHEMBL29934021 0.81 KCNH2 (0.36) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23501595 0.81 KCNH2 (0.36) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19963975 0.81 RIPK2 (0.44) RIPK2
SCHEMBL19963981 0.81 RIPK2 (0.44) RIPK2IRAK4CSNK2A2CSNK2A1AXL
SCHEMBL22574279 0.79 SMYD3 (0.43) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29934046 0.79 POLB (0.47) RIPK2AXLCXCR3CHRNB2CHRNB4
SCHEMBL23501662 0.79 POLB (0.47) RIPK2AXLCXCR3CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
EP-3512837-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 Boehringer Ingelheim International GmbH (DE) 2019-07-24 EP disclosed
US-10138222-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 US disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 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 (2 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-10138222-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 RIPK2 1/4885L3MBTL4 2808/4885L3MBTL3 3483/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 RIPK2 1/4885L3MBTL4 4161/4885L3MBTL3 4377/4885

“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.