Sugi Predict

Sugi Predict / Compounds / SCHEMBL707643

SCHEMBL707643

SCHEMBL707643

CC1(C)COC(c2ccc(C(C)(C)C)cc2)=N1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL471858 0.87 KDM4E (0.60) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL2678996 0.87 KDM4E (0.46) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL8911222 0.85 KDM4E (0.43) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL954192 0.85 LMNA (0.48) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL18130718 0.84 LMNA (0.45) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL14351661 0.83 KDM4E (0.45) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL20409590 0.80 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL3942245 0.80 KDM4E (0.53) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL8824283 0.80 KDM4E (0.46) KDM4EHRH3CYP2D6LMNAMAPT
SCHEMBL4447566 0.79 KDM4E (0.51) KDM4EHRH3CYP2D6LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-10246457-B2 Indazole and azaindazole Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US disclosed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 — — EP disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 — — EP disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 — — EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 — — EP disclosed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — WO disclosed
EP-2297142-B1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES HOFFMANN LA ROCHE (CH) 2015-10-14 — — EP disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — US disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 — — US disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
WO-2009156284-A1 NOVEL SUBSTITUTED PYRIDIN-2-ONES AND PYRIDAZIN-3-ONES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-30 — — WO disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 — — 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 (5 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-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS BTK, SYK, ABL1 KDM4E 671/4885HRH3 662/4885CYP2D6 1561/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885HRH3 1501/4885CYP2D6 1593/4885
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK KDM4E 195/4885HRH3 392/4885CYP2D6 1358/4885
US-10246457-B2 Indazole and azaindazole Btk inhibitors BTK, SYK, ABL1 KDM4E 671/4885HRH3 662/4885CYP2D6 1561/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN KDM4E 741/4885HRH3 1692/4885CYP2D6 1982/4885

“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.