SCHEMBL8885481

SCHEMBL8885481

CCCc1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 3/20 0.48
GLA P06280 2/20 0.48
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.44
MBOAT4 Q96T53 1/20 0.41
DAO P14920 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MCL1 Q07820 1/20 0.39
DPYD Q12882 1/20 0.39
UPP1 Q16831 1/20 0.38
MDM2 Q00987 1/20 0.38
GALR3 O60755 1/20 0.37

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
SCHEMBL1258908 0.90 CRHBP (0.49) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL5117155 0.85 CRHBP (0.54) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL27379385 0.81 CRHBP (0.48) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL4488668 0.78 CRHBP (0.58) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL9341183 0.77 CRHBP (0.50) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL10750342 0.77 CRHBP (0.50) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL11367725 0.77 CRHBP (0.47) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL7378101 0.74 CRHBP (0.50) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL7276657 0.72 CRHBP (0.60) CRHBPCRHR2ALDH1A1KDM4EHPGD
SCHEMBL9846261 0.72 CRHBP (0.49) CRHBPCRHR2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365583-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-11-16 US disclosed
US-20230365583-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-11-16 US disclosed
WO-2022035806-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed
CN-109320499-B Pyrrole-3-formamide compound and preparation method and application thereof 沈阳药科大学 2020-09-08 CN disclosed
CN-109320499-A Pyrrole-3-carboxamide class compound and its preparation method and application 沈阳药科大学 2019-02-12 CN disclosed
US-5599823-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5356911-A Hypotensive agents BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-4451469-A Selected 6-alkyl-and 4,6-dialkyl-2(1H)-pyridinones as cardiotonics STERLING DRUG INC. (US) 1984-05-29 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 (1 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-20230365583-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP30, USP8 CRHBP 2041/4885CRHR2 4269/4885ALDH1A1 1934/4885

“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.