Sugi Predict

Sugi Predict / Compounds / SCHEMBL2556010

SCHEMBL2556010

SCHEMBL2556010

CCc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TXNRD1 Q16881 2/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33

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
SCHEMBL28275491 0.85 PIM3 (0.39) GAALMNAPIM3KDM4ETXNRD1
SCHEMBL10879957 0.80 TXNRD1 (0.40) GAALMNATXNRD1ALDH1A1SMN1; SMN2
SCHEMBL9354801 0.80 LOXL2 (0.35) LMNAKDM4EALDH1A1MAPTTDP1
SCHEMBL22609628 0.80 LMNA (0.35) GAALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL27658163 0.80 LMNA (0.35) GAALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1559568 0.78 LMNA (0.49) GAALMNATXNRD1ALDH1A1MAPT
SCHEMBL28033273 0.77 NPC1 (0.35) LMNAALDH1A1MAPTPOLBHTT
SCHEMBL27912620 0.77 TXNRD1 (0.30) LMNATXNRD1
SCHEMBL2227139 0.76 TXNRD1 (0.34) GAALMNATXNRD1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL30781517 0.76 LMNA (0.33) LMNAKDM4EALDH1A1MAPTGPR35

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024218285-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-24 — — WO disclosed
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-17 — — US disclosed
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors H. LUNDBECK A/S (DK) 2024-04-16 — — US disclosed
WO-2024056775-A1 MACROCYCLIC LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-03-21 — — WO disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 — — US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 — — US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 — — EP disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 — — EP disclosed
CN-106459051-B Macrocyclic FXIA Inhibitors Containing Heterocyclic Groups 百时美施贵宝公司 2018-10-16 — — CN disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 — — WO disclosed
WO-2015140189-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 — — WO disclosed
EP-2900657-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 — — EP disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 — — WO disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 — — EP disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 — — WO disclosed
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 — — EP disclosed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 — — WO disclosed
US-4921963-A Platinum complexes with one radiosensitizing ligand BRITISH COLUMBIA CANCER FOUNDATION (CA) 1990-05-01 — — 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 (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-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS LRRK2, PARK7, PINK1 GAA 331/4885LMNA 2076/4885PIM1 1743/4885
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors LRRK2, PARK7, PINK1 GAA 331/4885LMNA 2076/4885PIM1 1743/4885

“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.