SCHEMBL4065211

SCHEMBL4065211

Sc1nccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KMO O15229 1/20 0.54
MAP4K4 O95819 1/20 0.50
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
IKBKB O14920 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL27558773 0.80 MEN1 (0.56) MAPTMEN1KMT2APIK3CGGAA
SCHEMBL441888 0.79 MAPT (0.59) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL19933569 0.79 MEN1 (0.82) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL31325204 0.79 NPC1 (0.47) MAPTKMT2APIK3CBPIK3CGLMNA
SCHEMBL11468806 0.79 AURKA (0.59) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL25002915 0.76 MAPT (0.56) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL9633293 0.76 KDM4E (0.59) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL30885726 0.76 KDM4E (0.59) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL3412705 0.76 KMO (0.66) MAPTMEN1KMT2AKMOMAP4K4
SCHEMBL30885864 0.76 KIF11 (0.47) MEN1KMT2AKMOL3MBTL1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114477223-B Preparation method and application of sulfhydryl-functionalized SBA molecular sieve 中国石油化工股份有限公司 2023-09-08 CN claimed
CN-114105167-B Sulfhydryl functional MCM-41 molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2023-05-12 CN claimed
CN-114477223-A Preparation method and application of sulfydryl functionalized SBA molecular sieve 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114105167-A Sulfydryl functionalized MCM-41 molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2022-03-01 CN claimed
CN-114477223-B Preparation method and application of sulfhydryl-functionalized SBA molecular sieve 中国石油化工股份有限公司 2023-09-08 CN disclosed
CN-114105167-B Sulfhydryl functional MCM-41 molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2023-05-12 CN disclosed
CN-114477223-A Preparation method and application of sulfydryl functionalized SBA molecular sieve 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114105167-A Sulfydryl functionalized MCM-41 molecular sieve and preparation method and application thereof 中国石油化工股份有限公司 2022-03-01 CN disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 US disclosed
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO disclosed
US-20030114447-A1 Small molecule inhibitors of caspases SUNESIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003024955-A2 SMALL MOLECULE INHIBITORS OF CASPASES SUNESIS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO 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 (2 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-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE MAPT 2390/4885MEN1 4336/4885KMT2A 1671/4885
US-20030114447-A1 Small molecule inhibitors of caspases CASP1, CASP9, CASP2 MAPT 3039/4885MEN1 3778/4885KMT2A 4436/4885

“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.