Sugi Predict

Sugi Predict / Compounds / SCHEMBL322033

SCHEMBL322033

SCHEMBL322033

CCc1cc(F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ F2R P25116 2/20 0.37
▸ RIPK1 Q13546 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PARK7 Q99497 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL13064232 0.83 F2RL1 (0.40) F2RMAPTSMN1; SMN2DPP4HTR2A
SCHEMBL30005666 0.82 PKM (0.42) GABRA1GABRB2PKMF2RRIPK1
SCHEMBL5430076 0.82 PKM (0.38) PKMF2RRIPK1MAPTDPP4
SCHEMBL3711398 0.82 PKM (0.42) GABRA1GABRB2PKMF2RRIPK1
SCHEMBL31021710 0.79 DPP4 (0.37) PKMRIPK1MAPTDPP4HTR2A
SCHEMBL156831 0.79 DPP4 (0.37) PKMRIPK1MAPTDPP4HTR2A
SCHEMBL29374861 0.79 DPP4 (0.37) PKMRIPK1MAPTDPP4HTR2A
SCHEMBL17979919 0.78 PKM (0.36) PKMF2RRIPK1MAPTDPP4
SCHEMBL3667517 0.78 IDO1 (0.40) PKMRIPK1MAPTSMN1; SMN2HTR2A
SCHEMBL14629998 0.78 MPO (0.39) F2RMAPTHTR2ASLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704100-B1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LTD (IN) 2023-08-30 — — EP disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 — — US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 — — US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 — — US disclosed
EP-3630748-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-04-19 — — EP disclosed
CN-112996774-B 2-oxo-1,2-dihydropyridine derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
US-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2021-09-16 — — US disclosed
CN-112996774-A 2-oxo-1, 2-dihydropyridine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-06-18 — — CN disclosed
US-11021466-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-06-01 — — US disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 — — WO disclosed
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 — — US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 — — US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 — — US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 — — US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 — — US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 — — US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 — — US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 — — 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 (9 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GABRA1 373/4885GABRB2 670/4885PKM 3896/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 GABRA1 4000/4885GABRB2 4073/4885PKM 1212/4885
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 GABRA1 494/4885GABRB2 824/4885PKM 1521/4885
US-11021466-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 GABRA1 4714/4885GABRB2 4620/4885PKM 2987/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 GABRA1 2094/4885GABRB2 1541/4885PKM 563/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 GABRA1 3137/4885GABRB2 2677/4885PKM 1790/4885
US-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 GABRA1 4714/4885GABRB2 4620/4885PKM 2987/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 GABRA1 4714/4885GABRB2 4620/4885PKM 2987/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 GABRA1 1707/4885GABRB2 1124/4885PKM 624/4885

“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.