Sugi Predict

Sugi Predict / Compounds / SCHEMBL84407

SCHEMBL84407

SCHEMBL84407

Cc1cc(C(C)C)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.56
▸ NOS1 P29475 4/20 0.56
▸ NOS2 P35228 4/20 0.56
▸ MAP4K4 O95819 1/20 0.42
▸ UHRF1 Q96T88 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL15471948 0.80 HTT (0.42) NOS3NOS1NOS2UHRF1ALDH1A1
SCHEMBL29910000 0.78 GABRA1 (0.38) NOS3NOS1NOS2KCNH2HRH4
SCHEMBL17953260 0.78 GABRA1 (0.38) NOS3NOS1NOS2KCNH2HRH4
SCHEMBL4477571 0.78 NOS2 (0.50) NOS3NOS1NOS2MAP4K4UHRF1
SCHEMBL12144343 0.77 CYP2A6 (0.37) NOS3NOS1NOS2LMNATRPA1
SCHEMBL30867968 0.77 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL84363 0.77 CPB2 (0.36) NOS3NOS1NOS2MAP4K4CPB2
SCHEMBL21206568 0.77 HTT (0.54) NOS3NOS1NOS2UHRF1ALDH1A1
SCHEMBL84409 0.77 ALDH1A1 (0.44) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL83983 0.77 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 — — US disclosed
WO-2021250399-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2021-12-16 — — WO disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof TOCOPHERX, INC. (US) 2019-02-19 — — US disclosed
US-20170369510-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-28 — — US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 — — US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 — — US disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 — — US disclosed
US-9242972-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-01-26 — — US disclosed
US-20150065507-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2015-03-05 — — US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 — — EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 — — EP disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — 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 (9 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-10208055-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR NOS3 2649/4885NOS1 4155/4885NOS2 4323/4885
US-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 NOS3 1409/4885NOS1 1557/4885NOS2 1488/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NOS3 2932/4885NOS1 2578/4885NOS2 3360/4885
US-20150065507-A1 NOVEL COMPOUNDS RORC, RORB, RORA NOS3 2961/4885NOS1 2889/4885NOS2 2832/4885
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NOS3 2649/4885NOS1 4155/4885NOS2 4323/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 NOS3 3824/4885NOS1 3877/4885NOS2 2721/4885
US-20170369510-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF NLK, DCLK2, DLK1 NOS3 2827/4885NOS1 2967/4885NOS2 2895/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 NOS3 3025/4885NOS1 2613/4885NOS2 3393/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS NOS3 4589/4885NOS1 4742/4885NOS2 4753/4885

“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.