Sugi Predict

Sugi Predict / Compounds / SCHEMBL4345488

SCHEMBL4345488

SCHEMBL4345488

Cc1ccc(C(=O)CBr)cc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ GSK3B P49841 9/20 0.55
▸ PTPN1 P18031 6/20 0.55
▸ KCNQ3 O43525 2/20 0.43
▸ KCNQ2 O43526 2/20 0.43
▸ KCNE1 P15382 2/20 0.43
▸ KCNQ1 P51787 2/20 0.43
▸ KCNQ5 Q9NR82 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ GNG2 P59768 1/20 0.41
▸ GNB1 P62873 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL5301761 0.85 GSK3B (0.55) GSK3BPTPN1GNG2GNB1
SCHEMBL29977610 0.85 GSK3B (0.55) GSK3BPTPN1GNG2GNB1
SCHEMBL21006684 0.83 HDAC1 (0.58) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL9720643 0.83 HDAC1 (0.58) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL366866 0.82 PTPN1 (0.61) GSK3BPTPN1
SCHEMBL1726590 0.82 GSK3B (0.61) GSK3BPTPN1ALDH1A1LMNAHTT
SCHEMBL30187429 0.82 GSK3B (0.61) GSK3BPTPN1ALDH1A1LMNAHTT
SCHEMBL29628387 0.82 PTPN1 (0.61) GSK3BPTPN1
SCHEMBL6182736 0.81 HDAC1 (0.56) HDAC1HDAC6GSK3BKCNQ3KCNQ2
SCHEMBL14684053 0.81 HDAC1 (0.56) HDAC1HDAC6KCNQ3KCNQ2KCNE1

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
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 — — US disclosed
WO-2021094210-A1 SUBSTITUTED PYRAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 — — EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 — — CN disclosed
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 — — US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — US disclosed
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-11-24 — — US disclosed
US-9447072-B2 Pyridone derivative and pharmaceutical containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-09-20 — — US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 — — US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 — — EP disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 — — US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 — — US disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 — — WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 — — US disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
CN-1942464-A Novel piperidine substituted diaminothiazoles HOFFMANN LA ROCHE (CH) 2007-04-04 — — CN disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — 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 (7 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK HDAC1 833/4885HDAC6 698/4885GSK3B 3707/4885
US-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 HDAC1 87/4885HDAC6 301/4885GSK3B 633/4885
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME PLPBP, PDXK, PNPO HDAC1 715/4885HDAC6 2303/4885GSK3B 2225/4885
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof PNPO, PDXK, PLPBP HDAC1 929/4885HDAC6 2188/4885GSK3B 1821/4885
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP HDAC1 753/4885HDAC6 1414/4885GSK3B 2836/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 HDAC1 145/4885HDAC6 217/4885GSK3B 2874/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 HDAC1 363/4885HDAC6 190/4885GSK3B 4722/4885

“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.