Sugi Predict

Sugi Predict / Compounds / SCHEMBL8289786

SCHEMBL8289786

SCHEMBL8289786

CN(C)Cc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.64
▸ TAAR1 Q96RJ0 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PYCR1 P32322 2/20 0.55
▸ MCHR1 Q99705 2/20 0.51
▸ AOC3 Q16853 1/20 0.50
▸ RIPK1 Q13546 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ DAO P14920 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL27825225 0.93 HRH3 (0.77) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL659509 0.86 HRH3 (0.82) HRH3TAAR1ALDH1A1TSHRAOC3
SCHEMBL3191532 0.84 PYCR1 (0.67) HRH3TAAR1ALDH1A1PYCR1AOC3
SCHEMBL15652726 0.80 PYCR1 (0.52) HRH3TAAR1ALDH1A1PYCR1AOC3
SCHEMBL25588075 0.80 PYCR1 (0.52) HRH3TAAR1ALDH1A1PYCR1AOC3
SCHEMBL20428069 0.80 PYCR1 (0.52) HRH3TAAR1ALDH1A1PYCR1AOC3
SCHEMBL13322430 0.80 PYCR1 (0.52) HRH3TAAR1ALDH1A1PYCR1AOC3
SCHEMBL15597723 0.80 AOC3 (0.63) TAAR1ALDH1A1PYCR1AOC3RIPK1
SCHEMBL13889677 0.80 TAAR1 (0.61) HRH3TAAR1ALDH1A1TSHRPYCR1
SCHEMBL10039142 0.80 TAAR1 (0.61) HRH3TAAR1ALDH1A1PYCR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 — — EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 — — US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 — — EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 — — US claimed
CN-105143207-A Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC 2015-12-09 — — CN claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 — — WO claimed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US claimed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 — — EP claimed
CN-117531520-A Catalyst and preparation method and application thereof 厦门大学 2024-02-09 — — CN disclosed
WO-2024027109-A1 CATALYST, PREPARATION METHOD THEREFOR AND USE THEREOF XIAMEN UNIVERSITY (CN) 2024-02-08 — — WO disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
CN-114436851-B Preparation method of N, N-dimethylbenzylamine and derivatives thereof 常州大学 2023-08-22 — — CN disclosed
EP-4093401-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING The Board of Regents of the University of Texas System (US) 2022-11-30 — — EP disclosed
CN-114436851-A Preparation method of N, N-dimethylbenzylamine and derivative thereof 常州大学 2022-05-06 — — CN disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 — — US disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 — — WO disclosed
US-4851420-A ANALGESICS, ANTIPYRETICS ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
CN-87106966-A New 2,6-diamino-3-halogeno-benzyl pyridine compounds and their and preparation method thereof and pharmaceutical use — 1988-08-31 — — CN disclosed
EP-0266711-A1 2,6-Diamino-3-halobenzyl-pyridines and process for their preparation as well as their use in pharmaceuticals ASTA Pharma AG (DE) 1988-05-11 — — EP disclosed
US-4147548-A Photographic element comprising quaternary nitrogen polymeric mordant FUJI PHOTO FILM CO., LTD. (JP) 1979-04-03 — — 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A HRH3 559/4885TAAR1 3029/4885ALDH1A1 608/4885
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HRH3 22/4885TAAR1 59/4885ALDH1A1 1436/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K HRH3 2383/4885TAAR1 1809/4885ALDH1A1 3535/4885

“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.