SCHEMBL913402

SCHEMBL913402

Nc1ccc(F)c(C(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
DPP4 P27487 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
APEX1 P27695 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
MCL1 Q07820 2/20 0.35

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
SCHEMBL15978622 0.84 CYP3A4 (0.41) CYP3A4KEAP1HDAC1HDAC6ALDH1A1
SCHEMBL2334297 0.83 DPP4 (0.41) KEAP1ALDH1A1DPP4ALOX15TSHR
SCHEMBL21750024 0.81 KEAP1 (0.45) KEAP1HDAC1HDAC6ALDH1A1POLB
SCHEMBL30296903 0.79 KEAP1 (0.44) KEAP1HDAC1HDAC6ALDH1A1POLB
SCHEMBL7820374 0.79 DPP4 (0.48) ALDH1A1DPP4ALOX15TSHRCES2
SCHEMBL913406 0.79 DPP4 (0.54) CYP3A4KEAP1ALDH1A1POLBDPP4
SCHEMBL29469371 0.79 DPP4 (0.54) CYP3A4KEAP1ALDH1A1POLBDPP4
SCHEMBL670548 0.79 KEAP1 (0.44) KEAP1HDAC1HDAC6ALDH1A1POLB
SCHEMBL29562833 0.78 ABL1 (0.47) HDAC1HDAC6ALDH1A1POLBALOX15
SCHEMBL1437701 0.78 ABL1 (0.47) HDAC1HDAC6ALDH1A1POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
EP-2780341-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Centaurus Biopharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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 (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-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF MAP3K20, MAP3K1, PRKCH CYP3A4 4707/4885KEAP1 728/4885HDAC1 874/4885
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF CYP3A4 2450/4885KEAP1 1389/4885HDAC1 965/4885

“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.