SCHEMBL805057

SCHEMBL805057

Cc1nc2ccc(C(C)(C)C)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
HSD17B10 Q99714 1/20 0.68
SCN10A Q9Y5Y9 12/20 0.63
KCNH2 Q12809 1/20 0.63
ALDH1A1 P00352 1/20 0.58
METAP2 P50579 1/20 0.54
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
CHUK O15111 1/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50

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
SCHEMBL24589283 0.86 MAPT (0.73) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL4393880 0.85 MAPT (0.50) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL12020707 0.84 MAPT (0.76) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL10573938 0.82 MAPT (0.59) GAAMAPTHSD17B10SCN10AKCNH2
SCHEMBL846652 0.81 SCN10A (0.78) SCN10AKCNH2ALDH1A1METAP2PLK4
SCHEMBL29213213 0.80 SCN10A (0.61) SCN10AKCNH2METAP2PLK4CHEK1
SCHEMBL15945342 0.80 SCN10A (0.61) SCN10AKCNH2METAP2PLK4CHEK1
SCHEMBL2418844 0.80 SCN10A (0.61) SCN10AKCNH2METAP2PLK4CHEK1
SCHEMBL30618511 0.80 SCN10A (0.66) SCN10AKCNH2ALDH1A1METAP2TDP1
SCHEMBL5679483 0.80 SCN10A (0.66) SCN10AKCNH2ALDH1A1METAP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 US disclosed
US-20220002271-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-01-06 US disclosed
US-11091466-B2 Heterocyclic inhibitors of PCSK9 Cardio Therapeutics Pty Ltd (AU) 2021-08-17 US disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (15 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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 GAA 1881/4885MAPT 2835/4885HSD17B10 4/4885
US-11091466-B2 Heterocyclic inhibitors of PCSK9 PCSK9, PCSK7, PCSK6 GAA 107/4885MAPT 2264/4885HSD17B10 306/4885
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B GAA 2319/4885MAPT 219/4885HSD17B10 4739/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 GAA 4411/4885MAPT 1996/4885HSD17B10 4475/4885
US-20220002271-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK6, PCSK7 GAA 134/4885MAPT 2269/4885HSD17B10 329/4885
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 GAA 670/4885MAPT 4584/4885HSD17B10 2750/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 GAA 1534/4885MAPT 3525/4885HSD17B10 3043/4885
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 GAA 3961/4885MAPT 1137/4885HSD17B10 2714/4885
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK GAA 2027/4885MAPT 3322/4885HSD17B10 4458/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GAA 94/4885MAPT 2516/4885HSD17B10 120/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R GAA 2500/4885MAPT 1824/4885HSD17B10 3219/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MAPT 2923/4885HSD17B10 3314/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 GAA 2003/4885MAPT 3039/4885HSD17B10 2/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 387/4885MAPT 4483/4885HSD17B10 1672/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GAA 1336/4885MAPT 2574/4885HSD17B10 2252/4885

“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.