SCHEMBL2272299

SCHEMBL2272299

CC1(C)C(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.55
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
AKR1B1 P15121 1/20 0.49
PDE7A Q13946 1/20 0.49
TP53 P04637 5/20 0.46
MDM2 Q00987 5/20 0.46
CMA1 P23946 1/20 0.46
AHR P35869 1/20 0.46
MAOB P27338 1/20 0.46
PKM P14618 1/20 0.46
IDO1 P14902 1/20 0.44
HTR6 P50406 1/20 0.44
MAPK14 Q16539 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CES1 P23141 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL1722012 0.85 PGR (0.69) PGRPDK2PDK4AKR1B1PDE7A
SCHEMBL28509300 0.84 AKR1B1 (0.42) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL19905697 0.81 PKM (0.47) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL2266416 0.81 PKM (0.47) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL2268819 0.81 PKM (0.47) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL2266409 0.81 PKM (0.47) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL23836087 0.79 AKR1B1 (0.44) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL13731904 0.79 AKR1B1 (0.44) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL23835849 0.79 AKR1B1 (0.44) PGRAKR1B1PDE7ATP53MDM2
SCHEMBL2264085 0.78 PKM (0.50) AKR1B1PDE7ATP53MDM2CMA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-2817310-B1 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
CN-104114557-B 8-substituted 2-amino- [1,2,4] triazolo [1,5-a ] pyrazines as SYK tyrosine kinase inhibitors and GCN2 serine kinase inhibitors 默克专利股份公司 2017-10-24 CN disclosed
US-9120804-B2 8-substituted 2-amino-[1,2,4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
EP-2817310-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4]TRIAZOLO [1, 5 -A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS Merck Patent GmbH (DE) 2014-12-31 EP disclosed
CN-104114557-A 8-substituted 2-amino- [1,2,4] triazolo [1,5-a ] pyrazines as SYK tyrosine kinase inhibitors and GCN2 serine kinase inhibitors MERCK PATENT GMBH 2014-10-22 CN disclosed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 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 (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-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS SYK, EIF2AK4, BTK PGR 2195/4885PDK2 1148/4885PDK4 2327/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH PGR 280/4885PDK2 2556/4885PDK4 2817/4885
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 PGR 1666/4885PDK2 716/4885PDK4 878/4885

“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.