SCHEMBL1483328

SCHEMBL1483328

CC(C)C(C(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
ALOX5 P09917 1/20 0.50
EPHX1 P07099 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL5475337 1.00 CYP2D6 (0.54) CYP2D6ALOX5EPHX1KMT2AHDAC1
SCHEMBL14749339 1.00 CYP2D6 (0.54) CYP2D6ALOX5EPHX1KMT2AHDAC1
SCHEMBL31242992 0.86 CYP2D6 (0.64) CYP2D6ALOX5EPHX1KMT2ALMNA
SCHEMBL8376271 0.85 CYP2D6 (0.52) CYP2D6ALOX5EPHX1KMT2ATRPM8
SCHEMBL21327667 0.85 CYP2D6 (0.52) CYP2D6ALOX5EPHX1KMT2ATRPM8
SCHEMBL8444103 0.85 CYP2D6 (0.52) CYP2D6ALOX5EPHX1KMT2ATRPM8
SCHEMBL11020073 0.83 CYP2D6 (0.50) CYP2D6ALOX5EPHX1KMT2ATRPM8
SCHEMBL15222274 0.83 KMT2A (0.52) CYP2D6ALOX5EPHX1KMT2AHDAC1
SCHEMBL29639815 0.83 FFAR2 (0.47) CYP2D6EPHX1LMNAHIF1AKDM4E
SCHEMBL66944 0.82 CYP2D6 (0.73) CYP2D6KMT2AHDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO claimed
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 EP claimed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 WO claimed
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS ARCUS BIOSCIENCES, INC. 2023-01-26 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 US disclosed
US-9221826-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
CN-103201260-A Drug derivatives REDX PHARMA LTD 2013-07-10 CN disclosed
WO-2012125887-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO disclosed
EP-1651632-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP disclosed
WO-2005014575-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed
US-4288621-A Substituted 2,2-dimethylcyclopropaneamides ZOECON CORPORATION (US) 1981-09-08 US disclosed
US-4285879-A Cyclopropyl and phenylisobutylimidates ZOECON CORPORATION (US) 1981-08-25 US disclosed
US-4272449-A Phenoxy imidates ZOECON CORPORATION (US) 1981-06-09 US disclosed
US-4254264-A (6-Phenoxy-2-pyridyl) methyl esters of imidates ZOECON CORPORATION (US) 1981-03-03 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 (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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CYP2D6 2313/4885ALOX5 1254/4885EPHX1 2569/4885
US-20230024302-A1 2,3,5-TRISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS PIK3CA, PIK3CG, PIK3CD CYP2D6 4098/4885ALOX5 1385/4885EPHX1 2431/4885

“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.