SCHEMBL14737284

SCHEMBL14737284

NCC1(O)CN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27189757 0.83 ALDH1A1 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL10514286 0.80 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL19766610 0.79 SMN1; SMN2 (0.43) MAP2K2MAP2K1CYP1A2SMN1; SMN2
SCHEMBL16333961 0.78 ALDH1A1 (0.31) MAP2K2MAP2K1ALDH1A1
SCHEMBL1972942 0.77 SLC6A2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL321213 0.76 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL21585780 0.74
SCHEMBL23120756 0.71
SCHEMBL1141357 0.70 USP2 (0.43) USP2SMN1; SMN2
SCHEMBL15689513 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
EP-4346898-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2024-04-10 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
CN-110016020-A Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 铁木医药有限公司 2019-07-16 CN disclosed
US-20190167679-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-06-06 US disclosed
CN-109384778-A Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 铁木医药有限公司 2019-02-26 CN disclosed
CN-109369635-A Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 铁木医药有限公司 2019-02-22 CN disclosed
CN-108912111-A compounds and pharmaceutical compositions 铁木医药有限公司 2018-11-30 CN disclosed
CN-105408328-B sGC stimulators 铁木医药有限公司 2018-11-16 CN disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 MAP2K2 435/4885MAP2K1 854/4885USP2 1510/4885
US-20190167679-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 MAP2K2 3574/4885MAP2K1 3903/4885USP2 4302/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 MAP2K2 4752/4885MAP2K1 4765/4885USP2 3512/4885

“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.