SCHEMBL4636711

SCHEMBL4636711

CNS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
ACLY P53396 2/20 0.51
KAT6A Q92794 2/20 0.51
GLO1 Q04760 1/20 0.51
SLC40A1 Q9NP59 1/20 0.51
TRIM24 O15164 1/20 0.50
MAPT P10636 1/20 0.50
BRD1 O95696 1/20 0.49
BRPF1 P55201 1/20 0.49
CRBN Q96SW2 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
BRD4 O60885 1/20 0.46
EGFR P00533 1/20 0.45
TNNI3K Q59H18 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
HTR6 P50406 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
SCHEMBL28685956 0.85 IDO1 (0.48) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL11777272 0.84 L3MBTL1 (0.49) L3MBTL1EGFRTNNI3K
SCHEMBL420253 0.82 PGR (0.54) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL17818389 0.82 CA12 (0.61) MAPTL3MBTL1EGFRTNNI3K
SCHEMBL4615617 0.81 PGR (0.50) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL16000124 0.81 NR3C1 (0.52) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL13900229 0.81 MAPT (0.63) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL6027529 0.81 GLO1 (0.51) PGRRXFP1ACLYKAT6AGLO1
SCHEMBL2242660 0.80 L3MBTL1 (0.61) MAPTL3MBTL1EGFRTNNI3K
SCHEMBL17127741 0.80 KAT6A (0.53) PGRRXFP1ACLYKAT6AGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082201-B Synthetic method of chloro-bicyclo [1.1.1] pentylamine derivative 浙江工业大学 2024-06-21 CN disclosed
CN-116082201-A Synthetic method of chloro-bicyclo [1.1.1] pentylamine derivative 浙江工业大学 2023-05-09 CN disclosed
WO-2023077057-A1 SMALL-MOLECULAR INHIBITORS FOR THE BETA-CATENIN/ B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-04 WO disclosed
US-20220235043-A1 SUBSTITUTED SULFONAMIDE PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2022-07-28 US disclosed
WO-2021022178-A1 SUBSTITUTED SULFONAMIDE PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2016-05-19 US disclosed
US-9296736-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2016-03-29 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 US disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-29 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP 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 (7 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S PGR 24/4885RXFP1 379/4885ACLY 1067/4885
US-20220235043-A1 SUBSTITUTED SULFONAMIDE PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 PGR 3243/4885RXFP1 1442/4885ACLY 2862/4885
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A PGR 1695/4885RXFP1 4402/4885ACLY 3874/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA PGR 1471/4885RXFP1 157/4885ACLY 3459/4885
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A PGR 1695/4885RXFP1 4402/4885ACLY 3874/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A PGR 4409/4885RXFP1 146/4885ACLY 3145/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A PGR 1695/4885RXFP1 4402/4885ACLY 3874/4885

“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.