SCHEMBL828518

SCHEMBL828518

CC(C)N1Cc2ccccc2NC1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.61
CREBBP Q92793 2/20 0.61
AHR P35869 1/20 0.44
PDK2 Q15119 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK1 P28482 8/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.41
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38

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
SCHEMBL12848410 0.83 BRD4 (0.54) BRD4CREBBPAHRPDK2NPC1
SCHEMBL2603742 0.83 BRD4 (0.49) BRD4CREBBPAHRPDK2NPC1
SCHEMBL25758477 0.81 BRD4 (0.46) BRD4CREBBPAHRPDK2NPC1
SCHEMBL19830586 0.78 BRD4 (0.51) BRD4CREBBPAHRPDK2NPC1
SCHEMBL13757367 0.77 MAPK1 (0.43) BRD4MAPK1XIAPBIRC2CDK5
SCHEMBL828249 0.77 XIAP (0.39) BRD4CREBBPMAPK1XIAPBIRC2
SCHEMBL21968276 0.76 BRD4 (0.49) BRD4CREBBPAHRPDK2NPC1
SCHEMBL677636 0.76 BRD4 (1.00) BRD4CREBBPAHRPDK2NPC1
SCHEMBL1662451 0.75 MAPK1 (0.45) BRD4CREBBPMAPK1ALOX15
SCHEMBL311838 0.75 MAPK1 (0.45) BRD4CREBBPMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 US disclosed
CN-106749045-B D-amino acid oxidase inhibitor and preparation method and application thereof 上海交通大学 2020-02-14 CN disclosed
EP-3368525-B1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2019-03-13 EP disclosed
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 US disclosed
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 US disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-7196079-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO, INC. (US) 2007-03-27 US disclosed
CN-1106005-A A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
CN-1106004-A A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
CN-1042912-A (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-06-13 CN 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 (8 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-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, BDKRB2 BRD4 1696/4885CREBBP 1185/4885AHR 757/4885
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885CREBBP 2433/4885AHR 4373/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885CREBBP 2433/4885AHR 4373/4885
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL BRD4 1364/4885CREBBP 2290/4885AHR 4038/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL BRD4 1745/4885CREBBP 2077/4885AHR 4170/4885
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 BRD4 542/4885CREBBP 1852/4885AHR 965/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR BRD4 1345/4885CREBBP 1242/4885AHR 1774/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BRD4 3186/4885CREBBP 2437/4885AHR 4353/4885

“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.