SCHEMBL22445920

SCHEMBL22445920

Cc1cc2c(cc1C(=O)Nc1ccc3[nH]nc(C)c3c1)nnn2C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LRRK2 Q5S007 7/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL22445968 0.96 RAB9A (0.47) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL22445882 0.85 LRRK2 (0.45) RAB9AKDM4ELRRK2JAK2JAK1
SCHEMBL22445883 0.79 JAK2 (0.44) RAB9AKDM4ELRRK2JAK2JAK1
SCHEMBL22453111 0.74 LRRK2 (0.42) LRRK2JAK2JAK1
SCHEMBL22889932 0.72 LRRK2 (0.70) LRRK2
SCHEMBL22445841 0.72 LRRK2 (0.70) RAB9ANPC1LRRK2JAK2JAK1
SCHEMBL22445904 0.72 LRRK2 (0.43) RAB9AKDM4ELRRK2JAK2JAK1
SCHEMBL18167981 0.72 JAK2 (0.52) LRRK2JAK2JAK1
SCHEMBL22445917 0.71 ULK1 (0.48) RAB9ANPC1SMN1; SMN2KMT2ALRRK2
SCHEMBL12286618 0.71 JAK2 (0.63) SMN1; SMN2MEN1KMT2ALRRK2JAK2

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 3 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
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 123/4885KDM4E 2393/4885

“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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