SCHEMBL19947433

SCHEMBL19947433

Brc1cncc(NC2CC3CCC(C2)N3C2COC2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.31
CXCR3 P49682 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 0.30

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
SCHEMBL19947431 1.00 RIPK2 (0.42) RIPK2IRAK4CXCR3SMYD3KCNH2
SCHEMBL748003 0.82 CHRNB2 (0.43) IRAK4CXCR3CHRNB2CHRNB4CHRNA3
SCHEMBL748002 0.82 CHRNB2 (0.43) IRAK4CXCR3CHRNB2CHRNB4CHRNA3
SCHEMBL19947310 0.81 RIPK2 (0.44) RIPK2IRAK4CXCR3CHRNB2CHRNB4
SCHEMBL23501595 0.81 KCNH2 (0.36) SMYD3KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL29934021 0.81 KCNH2 (0.36) SMYD3KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL22574279 0.76 SMYD3 (0.43) SMYD3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19947447 0.75 MAPK1 (0.42) RIPK2SMYD3KCNH2
SCHEMBL29933947 0.75 MAPK1 (0.42) RIPK2SMYD3KCNH2
SCHEMBL3515522 0.73 ALDH1A1 (0.41) SMYD3KCNH2CHRNB2CHRNB4CHRNA3

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 3 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
US-10138222-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 US 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 1/4885IRAK4 41/4885CXCR3 1337/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 RIPK2 1/4885IRAK4 55/4885CXCR3 1201/4885

“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.