SCHEMBL22445945

SCHEMBL22445945

CCOC(=O)c1c(C)cc2cncn2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
PDE4D Q08499 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GAA P10253 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TBXAS1 P24557 1/20 0.40
USP2 O75604 1/20 0.40
ADORA1 P30542 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL22445984 0.80 ALDH1A1 (0.39) CYP3A4SMN1; SMN2ALDH1A1TBXAS1KMT2A
SCHEMBL22446018 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL22445953 0.74 KDM4E (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDPDE4D
SCHEMBL22445961 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL22446013 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL18137426 0.73 GABRA1 (0.42) CYP3A4SMN1; SMN2ALDH1A1HPGDCYP2C9
SCHEMBL18137409 0.73 L3MBTL1 (0.43) CYP3A4SMN1; SMN2TDP1KDM4ECYP2C9
SCHEMBL18137441 0.72 CYP2C9 (0.41) CYP3A4ALDH1A1KDM4EGAACYP2C9
SCHEMBL19964970 0.72 HTT (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL21113341 0.71 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 CYP3A4 3725/4885SMN1; SMN2 442/4885TDP1 332/4885

“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.