SCHEMBL22446005

SCHEMBL22446005

COC(=O)c1cc2cn[nH]c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
AXL P30530 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL18183739 0.95 TSHR (0.49) TSHRMAPTL3MBTL1NPC1RAB9A
SCHEMBL22836173 0.84 AXL (0.56) TSHRMAPTNPC1RAB9AAXL
SCHEMBL4144213 0.84 TSHR (0.47) TSHRMAPTNPC1RAB9AROCK2
SCHEMBL29615887 0.84 AXL (0.56) TSHRMAPTNPC1RAB9AAXL
SCHEMBL16213538 0.84 TSHR (0.47) TSHRMAPTNPC1RAB9AROCK2
SCHEMBL31602581 0.84 AXL (0.53) TSHRMAPTNPC1RAB9AROCK2
SCHEMBL1600048 0.81 CTNNB1 (0.47) MAPTL3MBTL1NPC1RAB9AROCK2
SCHEMBL31041189 0.81 TSHR (0.55) TSHRMAPTL3MBTL1NPC1RAB9A
SCHEMBL1273838 0.81 TSHR (0.55) TSHRMAPTL3MBTL1NPC1RAB9A
SCHEMBL30286390 0.81 AXL (0.56) TSHRMAPTNPC1RAB9AROCK2

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 TSHR 4210/4885MAPT 9/4885L3MBTL1 460/4885

“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.