SCHEMBL1968501

SCHEMBL1968501

NC(=O)c1ccccc1-c1cc(C(F)(F)F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PARP1 P09874 3/20 0.44
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CCR6 P51684 1/20 0.43
NUDT1 P36639 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
JAK2 O60674 3/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL15903182 0.84 AURKA (0.51) AURKARPS6KB1AURKBPARP1KDM4E
SCHEMBL28994207 0.83 AURKA (0.44) AURKARPS6KB1AURKBPARP1KDM4E
SCHEMBL3476293 0.82 AURKA (0.44) AURKARPS6KB1AURKBPARP1KDM4E
SCHEMBL17895180 0.82 TLR7 (0.46) AURKAKDM4ENOS3NOS2METAP2
SCHEMBL16654073 0.81 BCAT2 (0.50) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL29974939 0.79 BCAT2 (0.51) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL10489526 0.79 BCAT2 (0.51) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL18131148 0.79 GRM5 (0.46) GRM5KDM4EJAK2
SCHEMBL17894102 0.78 KMT2A (0.54) BCAT2CSNK1A1TYRO3DYRK1BPARP1
SCHEMBL30810258 0.78 KMT2A (0.54) BCAT2CSNK1A1TYRO3DYRK1BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601264-A1 BRUTON'S TYROSINE KINASE INHIBITORS Liao, Xibin (US) 2020-02-05 EP claimed
EP-3555090-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-23 EP claimed
WO-2018175512-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUZHOU BAIJIBUGONG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2018-09-27 WO claimed
WO-2018112136-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-21 WO claimed
EP-3240542-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP claimed
WO-2016109215-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO claimed
EP-2734523-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
EP-2552905-A1 B-RAF KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-02-06 EP claimed
WO-2013010869-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 US disclosed
CN-110964016-B Amino-norbornane derivative and preparation method and application thereof 南京药捷安康生物科技有限公司 2021-05-28 CN disclosed
CN-112135826-B Amino-norbornane derivative and preparation method and application thereof 南京药捷安康生物科技有限公司 2021-05-28 CN disclosed
US-20210121458-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-29 US disclosed
CN-112135826-A Amino-norbornane derivative and preparation method and application thereof 南京药捷安康生物科技有限公司 2020-12-25 CN disclosed
WO-2016192074-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016106627-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106629-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106625-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 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 (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-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK BCAT2 522/4885KDM4C 2197/4885AURKA 230/4885
US-20210121458-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BCAT2 522/4885KDM4C 2197/4885AURKA 230/4885

“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.