SCHEMBL22445917

SCHEMBL22445917

Cc1n[nH]c2ccc(NC(=O)c3ccc4nn[nH]c4c3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NAMPT P43490 2/20 0.45
▸ LRRK2 Q5S007 5/20 0.44
▸ POLB P06746 2/20 0.43
▸ ITK Q08881 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ DGAT1 O75907 1/20 0.41

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
SCHEMBL22445883 0.85 JAK2 (0.44) ULK1JAK2JAK1RAB9ALRRK2
SCHEMBL12286618 0.80 JAK2 (0.63) ULK1JAK2JAK1SMN1; SMN2NAMPT
SCHEMBL31147795 0.80 NPC1 (0.57) ULK1JAK2JAK1NPC1RAB9A
SCHEMBL22445869 0.79 JAK2 (0.41) ULK1JAK2JAK1LRRK2
SCHEMBL22445940 0.77 LRRK2 (0.43) ULK1JAK2JAK1LRRK2
SCHEMBL22453882 0.77 LRRK2 (0.55) LRRK2
SCHEMBL18167981 0.76 JAK2 (0.52) ULK1JAK2JAK1LRRK2ITK
SCHEMBL3698260 0.75 NAMPT (0.76) NAMPT
SCHEMBL22445853 0.75 JAK2 (0.43) ULK1JAK2JAK1RAB9ALRRK2
SCHEMBL22445894 0.75 ULK1 (0.46) ULK1JAK2JAK1NAMPTLRRK2

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 ULK1 187/4885JAK2 2201/4885JAK1 1985/4885

“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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