SCHEMBL19947447

SCHEMBL19947447

Brc1cncc(NC2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RIPK2 O43353 1/20 0.37
OPRK1 P41145 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KCNH2 Q12809 1/20 0.34
CD38 P28907 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29933947 1.00 MAPK1 (0.42) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22574279 0.88 SMYD3 (0.43) SMYD3ALDH1A1KDM4ENPC1LMNA
SCHEMBL3515522 0.84 ALDH1A1 (0.41) MAPK1SMYD3KCNH2ALDH1A1KDM4E
SCHEMBL29934021 0.83 KCNH2 (0.36) SMYD3KCNH2ALDH1A1KDM4ENPC1
SCHEMBL23501595 0.83 KCNH2 (0.36) SMYD3KCNH2ALDH1A1KDM4ENPC1
SCHEMBL15829423 0.80 MAPK1 (0.54) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL19984630 0.80 PIM1 (0.43) MAPK1RIPK2SMYD3ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL19947446 0.79 PIM1 (0.42) MAPK1RIPK2SMYD3ALDH1A1HSD17B10
SCHEMBL19947310 0.78 RIPK2 (0.44) RIPK2
SCHEMBL23501662 0.78 POLB (0.47) RIPK2

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
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO 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
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 MAPK1 1388/4885HDAC3 258/4885HDAC1 206/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 MAPK1 387/4885HDAC3 965/4885HDAC1 705/4885

“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.