SCHEMBL23783166

SCHEMBL23783166

Cc1nc2c(c(C)c1C#N)CCCC2O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 5/20 0.38
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UGT2B17 O75795 2/20 0.34
MAPK1 P28482 2/20 0.34
NSD2 O96028 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTT P42858 4/20 0.32
HSD17B10 Q99714 4/20 0.31
HPGD P15428 3/20 0.31
GAA P10253 2/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL23782853 0.91 KDM4E (0.35) KDM4EALDH1A1POLBAPEX1TDP1
SCHEMBL10286311 0.88 KDM4E (0.40) KDM4EALDH1A1ACHEPOLBAPEX1
SCHEMBL23782835 0.85 KDM4E (0.48) KDM4EALDH1A1ACHEPOLBAPEX1
SCHEMBL23782977 0.83 RECQL (0.39) KDM4EALDH1A1ACHEUGT2B17MAPK1
SCHEMBL10286279 0.82 KDM4E (0.44) KDM4EALDH1A1ACHEPOLBAPEX1
SCHEMBL10286167 0.80 ACHE (0.42) ACHEUGT2B17HSD17B10GAA
SCHEMBL10286299 0.76 ACHE (0.42) ACHEUGT2B17
SCHEMBL10286306 0.76 ACHE (0.39) ACHEL3MBTL1UGT2B17
SCHEMBL25168170 0.76 KDM4E (0.43) KDM4EALDH1A1L3MBTL1MAPK1NSD2
SCHEMBL23783142 0.76 KDM4E (0.40) KDM4EALDH1A1MAPK1NSD2CYP11B1

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 5 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-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 KDM4E 1401/4885ALDH1A1 1904/4885ACHE 1318/4885

“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.