SCHEMBL19950985

SCHEMBL19950985

Nc1cc(OCCO)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.55
NOS2 P35228 4/20 0.55
NOS1 P29475 3/20 0.55
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
DYRK1A Q13627 1/20 0.43
MAOA P21397 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41

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
SCHEMBL21999454 0.82 NOS3 (0.57) NOS3NOS2NOS1DYRK1AKDM4E
SCHEMBL15689737 0.81 NOS3 (0.60) NOS3NOS2NOS1ALDH1A1DYRK1A
SCHEMBL27904580 0.81 NOS3 (0.55) NOS3NOS2NOS1DYRK1AKDM4E
SCHEMBL25595272 0.79 NOS3 (0.58) NOS3NOS2NOS1ALDH1A1DYRK1A
SCHEMBL731492 0.79 NOS3 (0.63) NOS3NOS2NOS1DYRK1AMAOA
SCHEMBL29615484 0.79 NOS3 (0.63) NOS3NOS2NOS1DYRK1AMAOA
SCHEMBL8302306 0.77 ALDH1A1 (0.45) ALDH1A1RECQLMAOAKMT2ACA1
SCHEMBL31637890 0.77 ALDH1A1 (0.45) ALDH1A1RECQLMAOAKMT2ACA1
SCHEMBL30821846 0.77 RECQL (0.50) ALDH1A1RECQLMAOAKMT2ACA1
SCHEMBL19950962 0.77 RECQL (0.50) ALDH1A1RECQLMAOAKMT2ACA1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042901-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2025-02-06 US disclosed
US-12139484-B2 Substituted benzamides as RIPK2 inhibitors for treatment of inflammatory bowel disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-12 US disclosed
US-20220081437-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2022-03-17 US disclosed
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-28 US 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
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-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
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
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 (7 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 NOS3 3538/4885NOS2 2610/4885NOS1 3694/4885
US-20180072717-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 NOS3 3484/4885NOS2 2624/4885NOS1 3654/4885
US-10138241-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 NOS3 2910/4885NOS2 1796/4885NOS1 3092/4885
US-20220081437-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK3 NOS3 3484/4885NOS2 2624/4885NOS1 3654/4885
US-11130754-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 NOS3 2910/4885NOS2 1796/4885NOS1 3092/4885
US-20250042901-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 NOS3 3538/4885NOS2 2610/4885NOS1 3694/4885
US-12139484-B2 Substituted benzamides as RIPK2 inhibitors for treatment of inflammatory bowel disease RIPK2, RIPK4, RIPK1 NOS3 1715/4885NOS2 706/4885NOS1 1943/4885

“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.