SCHEMBL2263267

SCHEMBL2263267

Cc1ccc2c(=O)[nH]ccc2c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.40
PARP1 P09874 6/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
PARP15 Q460N3 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36

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
SCHEMBL17263930 0.82 TSHR (0.64) ALDH1A1TSHRTDP1CYP3A4HSD17B10
SCHEMBL4685683 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP3A4KDM4E
SCHEMBL19251836 0.79 TSHR (0.50) ALDH1A1TSHRTDP1CYP3A4PARP1
SCHEMBL6537796 0.75 CCR8 (0.53) ALDH1A1TSHRTDP1CYP3A4KDM4E
SCHEMBL15830721 0.75 TSHR (0.46) ALDH1A1TSHRTDP1CYP3A4PARP1
SCHEMBL2264374 0.74 ALDH1A1 (0.49) ALDH1A1TSHRTDP1CYP3A4PARP1
SCHEMBL2263016 0.72 PARP1 (0.52) ALDH1A1TDP1CYP3A4PARP1KDM4E
SCHEMBL2262480 0.72 PARP1 (0.43) ALDH1A1TDP1CYP3A4PARP1KDM4E
SCHEMBL2263585 0.72 PARP1 (0.52) ALDH1A1TDP1CYP3A4PARP1KDM4E
SCHEMBL3537387 0.71 ALDH1A1 (0.49) ALDH1A1TSHRTDP1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363424-B1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH INC (US) 2026-04-15 EP disclosed
US-20250051351-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2025-02-13 US disclosed
US-11999749-B2 Synthesis of a bis-mesylate salt of 4-amino-N-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide and intermediates thereto GENENTECH, INC. (US) 2024-06-04 US disclosed
EP-4363424-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO Genentech, Inc. (US) 2024-05-08 EP disclosed
CN-117580840-A Synthesis of bis-mesylate salt of 4-amino-N- (1- ((3-chloro-2-fluorophenyl) amino) -6-methylisoquinolin-5-yl) thieno [3,2-D ] pyrimidine-7-carboxamide and intermediates thereof 基因泰克公司 2024-02-20 CN disclosed
US-20230028651-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2023-01-26 US disclosed
WO-2023278981-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2023-01-05 WO disclosed
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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 (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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 ALDH1A1 2020/4885TSHR 1037/4885TDP1 2349/4885
US-20250051351-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO BRAF, RAF1, KRAS ALDH1A1 1758/4885TSHR 1196/4885TDP1 1379/4885
US-20230028651-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1-((3-CHLORO-2-FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO BRAF, RAF1, KRAS ALDH1A1 1412/4885TSHR 1190/4885TDP1 1464/4885
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF ALDH1A1 1799/4885TSHR 1149/4885TDP1 2380/4885
US-11999749-B2 Synthesis of a bis-mesylate salt of 4-amino-N-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide and intermediates thereto BRAF, RAF1, KRAS ALDH1A1 1775/4885TSHR 1201/4885TDP1 1307/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF ALDH1A1 1825/4885TSHR 1077/4885TDP1 2559/4885

“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.