SCHEMBL746977

SCHEMBL746977

O=C(O)/C=C/c1cncc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
POLB P06746 2/20 0.48
PADI4 Q9UM07 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
RAB9A P51151 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
P4HTM Q9NXG6 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
SCHEMBL746816 1.00 HCAR2 (0.48) HCAR2POLBPADI4AKR1C3AKR1C2
SCHEMBL9118450 0.84 GLA (0.44) HCAR2POLBPADI4RAB9AALOX15
SCHEMBL17157645 0.84 POLB (0.43) HCAR2POLBPADI4RAB9AALOX15
SCHEMBL17157644 0.84 POLB (0.43) HCAR2POLBPADI4RAB9AALOX15
SCHEMBL9118435 0.84 GLA (0.44) HCAR2POLBPADI4RAB9AALOX15
SCHEMBL16996866 0.80 CYP1B1 (0.58) PADI4RAB9AHDAC3HDAC4HDAC1
SCHEMBL745342 0.80 KDM4E (0.50) HCAR2POLBPADI4AKR1C3RAB9A
SCHEMBL4172750 0.80 KMT2A (0.44) HCAR2POLBPADI4RAB9AALOX15
SCHEMBL3752783 0.80 AKR1C3 (0.43) HCAR2POLBPADI4AKR1C3RAB9A
SCHEMBL745343 0.80 KDM4E (0.50) HCAR2POLBPADI4AKR1C3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 US disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 WO disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO disclosed
EP-0511865-B1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1997-01-29 EP disclosed
US-5250700-A Phosphodiesterase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
US-5191084-A PHENYL PYRAZOLIDINONES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-02 US disclosed
EP-0511865-A1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-04 EP disclosed
EP-0210782-B1 PYRIDINE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1991-04-17 EP disclosed
US-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
EP-0210782-A2 Pyridine compounds, process for the preparation thereof and pharmaceutical composition containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-02-04 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 (6 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-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 HCAR2 704/4885POLB 4119/4885PADI4 2381/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C HCAR2 864/4885POLB 2152/4885PADI4 145/4885
US-20170008859-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN HCAR2 2560/4885POLB 3043/4885PADI4 4665/4885
US-20180141921-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN HCAR2 2560/4885POLB 3043/4885PADI4 4665/4885
US-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN HCAR2 2560/4885POLB 3043/4885PADI4 4665/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN HCAR2 2275/4885POLB 4204/4885PADI4 833/4885

“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.