SCHEMBL19962298

SCHEMBL19962298

COc1cc2ncc(I)n2cc1CO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DPP4 P27487 1/20 0.37
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
RIPK2 O43353 10/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
FYN P06241 2/20 0.33
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL31000080 0.83 HTR2A (0.35) RIPK2
SCHEMBL19781567 0.77 PIK3CA (0.38) RIPK2SUV39H2LCKLYN
SCHEMBL24975881 0.75 RIPK2 (0.39) RIPK2LCKLYN
SCHEMBL26927479 0.75 ALDH1A1 (0.39) RIPK2FYNLCKLYNKDM4E
SCHEMBL31723545 0.75 RIPK2 (0.46) RIPK2LYN
SCHEMBL25148981 0.74 POLB (0.39) FGFR1SRCRIPK2LCKLYN
SCHEMBL31211991 0.74 RIPK2 (0.51) RIPK2LCKLYN
SCHEMBL31211976 0.73 RIPK2 (0.43) RIPK2LCKLYN
SCHEMBL31212037 0.72 RIPK2 (0.49) RIPK2LCKLYN
SCHEMBL26927359 0.72 RIPK2 (0.44) RIPK2LCKLYN

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-110023290-B Heteroaryl carboxamide compounds as RIPK2 inhibitors 勃林格殷格翰国际有限公司 2022-08-12 CN disclosed
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
US-20190048000-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2019-02-14 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
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 (3 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 PDE4A 3278/4885PDE4B 3039/4885PDE4C 3826/4885
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 PDE4A 3193/4885PDE4B 2985/4885PDE4C 3738/4885
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 PDE4A 2990/4885PDE4B 2575/4885PDE4C 3649/4885

“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.