SCHEMBL9910074

SCHEMBL9910074

CC(C)(C)c1cccc2c1CCCN2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
NUDT1 P36639 4/20 0.37
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
BCHE P06276 1/20 0.35
PARP1 P09874 1/20 0.32
KDM1A O60341 1/20 0.32
KIF11 P52732 1/20 0.32
UHRF1 Q96T88 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13779510 0.89 NOTUM (0.40) CA2GABRA1GABRB2PARP1KIF11
SCHEMBL19776019 0.82 AR (0.38) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL29210689 0.78 KDM1A (0.31) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL4567533 0.77 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL27418880 0.77 CA2 (0.41) CA2GABRA1GABRB2HTR1AKIF11
SCHEMBL5757236 0.77 NUDT1 (0.47) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL30826409 0.77 NUDT1 (0.47) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL23055381 0.75 NOTUM (0.38) CA2DRD2BCHEPARP1
SCHEMBL19386410 0.75 DRD2 (0.36) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL22435470 0.74 ALDH1A1 (0.38) GRIA1GRIA2GRIA3GRIA4NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220006024-A1 CONDENSED CYCLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-06 US disclosed
CN-113889582-A Light emitting device including fused ring compound 三星显示有限公司 2022-01-04 CN disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
WO-2020156162-A1 MEK INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2020-08-06 WO disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 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 (12 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GRIA1 1224/4885GRIA2 2376/4885GRIA3 2096/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS GRIA1 1273/4885GRIA2 2556/4885GRIA3 1997/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 GRIA1 1910/4885GRIA2 3737/4885GRIA3 3544/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 GRIA1 866/4885GRIA2 1258/4885GRIA3 1003/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GRIA1 3781/4885GRIA2 3924/4885GRIA3 3990/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 GRIA1 1341/4885GRIA2 329/4885GRIA3 1009/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GRIA1 1337/4885GRIA2 2165/4885GRIA3 1703/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GRIA1 1224/4885GRIA2 2376/4885GRIA3 2096/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 GRIA1 1746/4885GRIA2 2660/4885GRIA3 994/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 GRIA1 1108/4885GRIA2 1814/4885GRIA3 734/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET GRIA1 2573/4885GRIA2 2701/4885GRIA3 2576/4885

“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.