SCHEMBL17888442

SCHEMBL17888442

CN(C)Cc1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CHKA P35790 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MET P08581 5/20 0.48
▸ DOT1L Q8TEK3 1/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL18583568 0.88 ALDH1A1 (0.51) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL17886955 0.85 ALDH1A1 (0.49) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL19226651 0.84 ALDH1A1 (0.47) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL3239908 0.82 CHKA (0.48) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL18711465 0.82 USP30 (0.53) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL23930126 0.82 PDK1 (0.56) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL1721002 0.80 NPC1 (0.57) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL11833 0.80 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9ACHKA
SCHEMBL30975089 0.79 ALDH1A1 (0.53) ALDH1A1NPC1POLBRAB9ACHKA
Ammonia Solution, Strong SCHEMBL28864729 0.79 ALDH1A1 (0.56) ALDH1A1NPC1POLBRAB9ACHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-05-25 — — US disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 — — EP disclosed
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 — — EP disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 — — WO disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885NPC1 3586/4885POLB 2553/4885
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 ALDH1A1 1180/4885NPC1 3540/4885POLB 852/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885NPC1 3586/4885POLB 2553/4885

“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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