SCHEMBL9846227

SCHEMBL9846227

Cc1[nH]c(=O)c(C#N)c2c1CCC2

nearest known ligand 0.93

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.93
KDM4E B2RXH2 9/20 0.93
GAA P10253 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
HPGD P15428 6/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
CYP2C19 P33261 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD11B1 P28845 6/20 0.50
ATM Q13315 1/20 0.49
PDE9A O76083 1/20 0.46

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
SCHEMBL7271706 0.96 ALDH1A1 (1.00) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL16935203 0.95 ALDH1A1 (0.96) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL16935306 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL16935223 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL24232404 0.78 ALDH1A1 (0.93) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL7266454 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL9846118 0.75 PDE9A (0.57) ALDH1A1KDM4EGAARXFP1APOBEC3G
SCHEMBL16935353 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL24256907 0.75 ALDH1A1 (0.94) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL15923482 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EGAARXFP1APOBEC3G

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 9 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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO 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-2015110999-A1 EZH2 INHIBITORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-07-30 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 ALDH1A1 1904/4885KDM4E 1401/4885GAA 1028/4885
US-20230365583-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP30, USP8 ALDH1A1 1934/4885KDM4E 1927/4885GAA 277/4885

“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.