SCHEMBL21776701

SCHEMBL21776701

N#Cc1cccc2nc(Br)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ PTGES O14684 2/20 0.36
▸ NR1H2 P55055 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL22654791 0.79 HTT (0.38) KDM4EALDH1A1GAAHTTNR1H2
SCHEMBL6420262 0.79 NR1H2 (0.40) HTTNR1H2HPGDSMEN1KMT2A
SCHEMBL22672653 0.76 LRRK2 (0.38) KDM4EALDH1A1GAAHTTNR1H2
SCHEMBL31360423 0.76 NCF1 (0.39) KDM4EALDH1A1GAAHTTNR1H2
SCHEMBL28187816 0.73 MAPK1 (0.39) ALDH1A1HTTMAPK1ADORA1
SCHEMBL7069005 0.73 PRMT5 (0.40) KDM4EALDH1A1MAPK1CLK4ADORA2A
SCHEMBL1808021 0.73 MAPK1 (0.39) KDM4EALDH1A1GAAHTTMAPK1
SCHEMBL25187861 0.72 PARP1 (0.39) KDM4EALDH1A1GAAHTTPTGES
SCHEMBL31360500 0.72 CNR2 (0.46) KDM4EALDH1A1GAAHTTMAPK1
SCHEMBL1126888 0.72 MAPT (0.48) KDM4EALDH1A1GAAHTTMAP4K4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 — — EP disclosed
US-20210323977-A1 PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-10-21 — — US disclosed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 — — US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 — — EP disclosed
EP-3844159-A1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-07 — — EP disclosed
CN-112673003-A Novel pyrrolidine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 — — CN disclosed
CN-112638901-A Novel pyrrolidinylamide compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-09 — — CN disclosed
WO-2020043271-A1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-05 — — 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 (2 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 KDM4E 437/4885ALDH1A1 942/4885GAA 3566/4885
US-20210323977-A1 PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, SSB, ARG2 KDM4E 686/4885ALDH1A1 1206/4885GAA 3411/4885

“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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