SCHEMBL6984785

SCHEMBL6984785

CC(C)(C)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
HSP90AA1 P07900 2/20 0.47
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP19A1 P11511 6/20 0.41
UGT1A4 P22310 1/20 0.41
PDE4D Q08499 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP51A1 Q16850 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 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
SCHEMBL4640786 0.82 FDPS (0.56) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL21277060 0.79 FDPS (0.53) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL10721461 0.77 EGLN3 (0.47) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL25020858 0.77 FDPS (0.43) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL7478315 0.77 FDPS (0.47) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL10515723 0.77 FDPS (0.51) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL7478308 0.77 FDPS (0.47) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL1485386 0.76 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL9770564 0.76 CYP3A4 (0.62) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL6884466 0.76 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779094-A Metalloenzyme inhibitor compounds VPS-3有限公司 2018-11-09 CN claimed
US-11767301-B2 Bi-functional molecules to degrade circulating proteins YALE UNIVERSITY (US) 2023-09-26 US disclosed
EP-3592741-B1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2023-02-15 EP disclosed
US-11312713-B2 Imidazo[4,5-C]quinoline derivatives as LRRK2 inhibitors PFIZER INC. (US) 2022-04-26 US disclosed
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-20210355117-A1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-11-18 US disclosed
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (14 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-11767301-B2 Bi-functional molecules to degrade circulating proteins MIF, ASGR1, FCGR2A FDPS 2297/4885HSP90AA1 2533/4885CYP3A4 2752/4885
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR FDPS 4535/4885HSP90AA1 667/4885CYP3A4 3412/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 FDPS 1216/4885HSP90AA1 2888/4885CYP3A4 1506/4885
US-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 FDPS 1102/4885HSP90AA1 1402/4885CYP3A4 3/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH FDPS 4253/4885HSP90AA1 1174/4885CYP3A4 803/4885
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 FDPS 794/4885HSP90AA1 1502/4885CYP3A4 3128/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B FDPS 3030/4885HSP90AA1 766/4885CYP3A4 3560/4885
US-11312713-B2 Imidazo[4,5-C]quinoline derivatives as LRRK2 inhibitors LRRK2, PARK7, BRCA1 FDPS 2678/4885HSP90AA1 2760/4885CYP3A4 2187/4885
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX FDPS 4503/4885HSP90AA1 3321/4885CYP3A4 67/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR FDPS 2802/4885HSP90AA1 2838/4885CYP3A4 444/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 FDPS 1333/4885HSP90AA1 2529/4885CYP3A4 1/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR FDPS 2802/4885HSP90AA1 2838/4885CYP3A4 444/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 FDPS 539/4885HSP90AA1 893/4885CYP3A4 2832/4885
US-20210355117-A1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, BRCA1 FDPS 2859/4885HSP90AA1 2555/4885CYP3A4 2846/4885

“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.