SCHEMBL2632149

SCHEMBL2632149

C=CC(=O)NC1CCC(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
POLB P06746 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
TEAD1 P28347 5/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 2/20 0.39
ADRA2A P08913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
JAK3 P52333 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL3478794 1.00 EPHX1 (0.52) EPHX1POLBSMYD3TEAD1RAB9A
SCHEMBL2618960 1.00 EPHX1 (0.52) EPHX1POLBSMYD3TEAD1RAB9A
SCHEMBL9624068 0.89 POLB (0.54) EPHX1POLBSMYD3TEAD1RAB9A
SCHEMBL308515 0.89
SCHEMBL24244484 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1
SCHEMBL20892801 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1
SCHEMBL20892953 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1
SCHEMBL20892805 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1
SCHEMBL19353226 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1
SCHEMBL19353270 0.88 EPHX1 (0.40) EPHX1POLBSMYD3TEAD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
WO-2021000957-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 北京国鸿生物医药科技有限公司 2021-01-07 WO disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
WO-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed
US-9951077-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-04-24 US disclosed
EP-2529622-B1 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-17 EP disclosed
EP-2307025-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC (US) 2017-09-20 EP disclosed
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 US disclosed
EP-2042564-A1 Photocurable coating composition, and overprint and process for producing same FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-20090081422-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090081422-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
EP-1927477-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-03-18 EP disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
US-20070115327-A1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
US-20070115327-A1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
EP-1788045-A1 Ink composition, ink jet recording method for producing planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 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 (3 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN EPHX1 2312/4885POLB 1813/4885SMYD3 1193/4885
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 EPHX1 4468/4885POLB 2202/4885SMYD3 1510/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN EPHX1 2312/4885POLB 1813/4885SMYD3 1193/4885

“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.