SCHEMBL19947442

SCHEMBL19947442

FCCN1CCC(Nc2cncc(Br)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.43
PABPC1 P11940 1/20 0.39
CXCR3 P49682 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
DYRK1A Q13627 3/20 0.37
PHF13 Q86YI8 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
WNT1 P04628 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TRPA1 O75762 1/20 0.34
BRD4 O60885 1/20 0.34
TAF1 P21675 1/20 0.34
ATAD2 Q6PL18 1/20 0.34

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
SCHEMBL19947430 0.83 RIPK2 (0.46) RIPK2PABPC1CXCR3CARM1PRMT6
SCHEMBL23501662 0.81 POLB (0.47) RIPK2CXCR3DYRK1AWNT1CHRNB2
SCHEMBL29934046 0.81 POLB (0.47) RIPK2CXCR3DYRK1AWNT1CHRNB2
SCHEMBL22574279 0.79 SMYD3 (0.43) L3MBTL1KDM4EROCK2ROCK1CHRNB2
SCHEMBL3515522 0.76 ALDH1A1 (0.41) L3MBTL3L3MBTL1KDM4ECHRNB2CHRNA4
SCHEMBL4716612 0.73 KDM1A (0.42) ROCK2ROCK1CHRNB2CHRNA4
SCHEMBL19947310 0.73 RIPK2 (0.44) RIPK2CXCR3DYRK1AL3MBTL3L3MBTL1
SCHEMBL19984630 0.72 PIM1 (0.43) RIPK2DYRK1AWNT1CHRNB2CHRNA4
SCHEMBL19947447 0.72 MAPK1 (0.42) RIPK2KDM4E
SCHEMBL29933947 0.72 MAPK1 (0.42) RIPK2KDM4E

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
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
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 1/4885PABPC1 2888/4885CXCR3 1337/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 RIPK2 1/4885PABPC1 3572/4885CXCR3 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.