SCHEMBL2605502

SCHEMBL2605502

CC(C)c1nc(C(C)(C)C)no1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
PIK3CG P48736 2/20 0.36
IDH1 O75874 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13844347 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL16276064 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL9449998 0.83 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL10147793 0.83 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL15114573 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL5170535 0.83 HTT (0.36) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL20049385 0.83 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL21180509 0.80 PIK3CG (0.35) PIK3CGIDH1
SCHEMBL15114575 0.80 HTT (0.37) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL14213299 0.79 PIK3CG (0.33) PIK3CGIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Oppilan Pharma Limited (GB) 2023-10-26 US disclosed
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2022261296-A1 COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-12-15 WO disclosed
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2022-06-14 US disclosed
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-06-24 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100234435-A1 CYCLOALKYLAMINO ACID DERIVATIVES BHATTACHARYA SAMIT K 2010-09-16 US disclosed
US-20100234435-A1 CYCLOALKYLAMINO ACID DERIVATIVES BHATTACHARYA SAMIT K 2010-09-16 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US disclosed
US-7531556-B2 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-7514434-B2 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof MIDCAP FINANCIAL TRUST 2007-01-04 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 (13 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR HTT 3120/4885PIK3CG 2665/4885IDH1 4843/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 HTT 3406/4885PIK3CG 1651/4885IDH1 2372/4885
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R HTT 1662/4885PIK3CG 973/4885IDH1 119/4885
US-20100234435-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCNI, CCNA1, PCNA HTT 502/4885PIK3CG 2150/4885IDH1 1047/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HTT 4444/4885PIK3CG 565/4885IDH1 322/4885
US-20070004723-A1 Heterocyclic compounds having an oxadiazole moiety and hydro isomers thereof HAVCR2, PCNA, HCCS HTT 1807/4885PIK3CG 2154/4885IDH1 11/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 HTT 2614/4885PIK3CG 102/4885IDH1 2259/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 HTT 3860/4885PIK3CG 3417/4885IDH1 3928/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HTT 4592/4885PIK3CG 550/4885IDH1 204/4885
US-20210188825-A1 COMPOUNDS CONTAINING POLYSUBSTITUTED BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR27, GCGR HTT 2484/4885PIK3CG 2618/4885IDH1 2797/4885
US-11358956-B2 Compounds containing polysubstituted benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR27, GCGR HTT 2484/4885PIK3CG 2618/4885IDH1 2797/4885
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT HTT 147/4885PIK3CG 4011/4885IDH1 26/4885
US-11814384-B2 Inhibtors of Raf kinases RAF1, BRAF, ARAF HTT 3374/4885PIK3CG 199/4885IDH1 566/4885

“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.