SCHEMBL4396277

SCHEMBL4396277

CC(C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 4/20 0.46
MAPT P10636 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL29800023 1.00 PTGS1 (0.48) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL25810625 0.88 PTGS1 (0.50) PTGS1PTGS2MAPTHPGDMEN1
SCHEMBL12743181 0.87 FADS1 (0.51) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL28360251 0.86 RXFP1 (0.48) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL21377414 0.86 MEN1 (0.63) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL29910146 0.86 RXFP1 (0.48) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL13734965 0.86 MEN1 (0.63) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL28032815 0.86 MEN1 (0.63) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL11090583 0.85 HDAC1 (0.45) MAPTMEN1KMT2AHDAC3HDAC1
SCHEMBL11090585 0.85 HDAC1 (0.45) MAPTMEN1KMT2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
CN-115340555-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-11-15 CN disclosed
CN-113173924-B Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-07-19 CN disclosed
US-11376260-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2022-07-05 US disclosed
WO-2021227906-A1 PYRIDINE ACETAMIDE DERIVATIVE SERVING AS CDK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2021-11-18 WO disclosed
CN-113173924-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-07-27 CN disclosed
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2021-04-15 US disclosed
US-10842799-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2020-11-24 US disclosed
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2020-03-12 US disclosed
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2019-06-27 US disclosed
US-9867833-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2018-01-04 US disclosed
EP-3077401-A1 SERINE/THREONINE KINASE INHIBITORS Genentech, Inc. (US) 2016-10-12 EP disclosed
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-07-02 US disclosed
WO-2015085007-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-06-11 WO disclosed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 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 (10 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-11376260-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-10842799-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 PTGS1 1205/4885PTGS2 2365/4885MAPT 4634/4885
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 PTGS1 75/4885PTGS2 87/4885MAPT 2048/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 PTGS1 1442/4885PTGS2 1325/4885MAPT 1719/4885
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 PTGS1 2619/4885PTGS2 3689/4885MAPT 2498/4885

“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.