SCHEMBL23782877

SCHEMBL23782877

Cc1nc2c(cc1C#N)CCCC2O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
UGT2B17 O75795 2/20 0.36
PGR P06401 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23782889 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29741021 0.82 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL23782851 0.82 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL23782845 0.82 GAA (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10286052 0.80 UGT2B17 (0.41) UGT2B17ACHE
SCHEMBL29740942 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10286048 0.77 ACHE (0.38) ALDH1A1CYP1A2CYP2C9KDM4EUGT2B17
SCHEMBL10286292 0.77 UGT2B17 (0.36) UGT2B17ACHE
SCHEMBL10286294 0.77 UGT2B17 (0.36) UGT2B17ACHE
SCHEMBL10286372 0.77 UGT2B17 (0.36) UGT2B17ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALDH1A1 1904/4885CYP1A2 1951/4885CYP2C9 2820/4885

“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.