SCHEMBL22445828

SCHEMBL22445828

Cc1cc2[nH]cnc2cc1C(=O)Nc1ccc2[nH]nc(Br)c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LRRK2 Q5S007 2/20 0.43
▸ JAK2 O60674 5/20 0.43
▸ JAK1 P23458 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ P2RY14 Q15391 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KHK P50053 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL22445881 0.85 LRRK2 (0.58) RAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL22445853 0.81 JAK2 (0.43) RAB9ALRRK2JAK2JAK1
SCHEMBL31147795 0.77 NPC1 (0.57) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL22453899 0.75 JAK2 (0.51) JAK2JAK1
SCHEMBL4106733 0.73 RAB9A (0.57) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL22445882 0.72 LRRK2 (0.45) RAB9ALRRK2JAK2JAK1
SCHEMBL13544523 0.71 RAB9A (0.52) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL22890296 0.71 LRRK2 (0.75) LRRK2
SCHEMBL22890699 0.71 LRRK2 (0.74) LRRK2
SCHEMBL29771518 0.71 LRRK2 (0.74) LRRK2

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
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 — — WO claimed
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 RAB9A 164/4885NPC1 123/4885SMN1; SMN2 442/4885

“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.

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