SCHEMBL9846118

SCHEMBL9846118

Cc1c2c([nH]c(=O)c1C#N)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.57
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 10/20 0.56
HPGD P15428 8/20 0.48
HIF1A Q16665 1/20 0.48
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.46
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PPARG P37231 2/20 0.39

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
SCHEMBL23782955 0.97 PDE9A (0.61) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL31647896 0.80 MAPT (0.52) PDE9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL24232982 0.79 HPGD (0.56) KDM4EALDH1A1HPGDHIF1AKMT2A
SCHEMBL31647900 0.78 KDM4E (0.45) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL13568238 0.76 PDE9A (0.47) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL26104648 0.76 PDE9A (0.47) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL26617838 0.75 PDE9A (0.41) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL9846227 0.75 ALDH1A1 (0.93) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL26104687 0.74 POLB (0.72) PDE9AKDM4EALDH1A1HPGDHIF1A
SCHEMBL23782842 0.72 PDE9A (0.50) PDE9AKDM4EALDH1A1HPGDHIF1A

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-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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (2 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 PDE9A 2792/4885KDM4E 1401/4885ALDH1A1 1904/4885
US-20230365583-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP30, USP8 PDE9A 3557/4885KDM4E 1927/4885ALDH1A1 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.