SCHEMBL19951012

SCHEMBL19951012

COc1cc2ncc(I)n2cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 5/20 0.36
MAPT P10636 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKDC P78527 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
RIPK2 O43353 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 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
SCHEMBL19781567 0.77 PIK3CA (0.38) RIPK2L3MBTL1POLB
SCHEMBL26927479 0.75 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL25148981 0.74 POLB (0.39) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL19962298 0.73 PDE4A (0.38) ALDH1A1KDM4EFGFR1HPGDRIPK2
SCHEMBL26927658 0.73 RIPK2 (0.63) RIPK2
SCHEMBL24975881 0.72 RIPK2 (0.39) RIPK2
SCHEMBL26927229 0.72 POLB (0.40) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL26927359 0.72 RIPK2 (0.44) MAPTRIPK2POLB
SCHEMBL30673341 0.70 RIPK2 (0.43) RIPK2
SCHEMBL31211988 0.70 RIPK2 (0.50) 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
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-28 US disclosed
EP-3512833-B1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-29 EP disclosed
EP-3512833-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 Boehringer Ingelheim International GmbH (DE) 2019-07-24 EP disclosed
US-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2019-02-14 US disclosed
US-10138241-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 US disclosed
WO-2018052772-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
US-20180072717-A1 HETEROARYL CARBOXAMIDE 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 (4 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-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 ALDH1A1 4492/4885KDM4E 1394/4885TSHR 3274/4885
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 ALDH1A1 4462/4885KDM4E 1547/4885TSHR 3160/4885
US-10138241-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 ALDH1A1 4003/4885KDM4E 861/4885TSHR 3603/4885
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 ALDH1A1 4003/4885KDM4E 861/4885TSHR 3603/4885

“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.