SCHEMBL1010663

SCHEMBL1010663

O=[N+]([O-])c1cccc2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PDE10A Q9Y233 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NOS1 P29475 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL29674805 1.00 ALDH1A1 (0.61) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL27415737 0.98 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP1A2CYP3A4
Bromide SCHEMBL11820178 0.98 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP1A2CYP3A4
Methane SCHEMBL27506999 0.98 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP1A2CYP3A4
Nitric Acid SCHEMBL6691619 0.95 ALDH1A1 (0.56) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL27680732 0.92 ALDH1A1 (0.53) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL9284399 0.91 LMNA (0.68) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL3292426 0.87 ALDH1A1 (0.63) ALDH1A1TDP1LMNACYP1A2CYP3A4
Ethyl Acetate SCHEMBL29093232 0.82 ALDH1A1 (0.42) ALDH1A1TDP1LMNAKDM4EMAPKAPK2
SCHEMBL5802254 0.81 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMAPTMEN1

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 347 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 claimed
US-12429483-B2 System and method for determining onset and disease progression RESPIRATION SCAN LTD (IL) 2025-09-30 US claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
CN-107304080-B Corrosion-inhibition, scale-inhibition and sterilization composition and application thereof 中国石油化工股份有限公司 2020-05-12 CN claimed
CN-107304076-B Corrosion-inhibition, scale-inhibition and sterilization composition and application thereof 中国石油化工股份有限公司 2020-05-12 CN claimed
CN-107304082-B Corrosion-inhibition, scale-inhibition and sterilization composition and application thereof 中国石油化工股份有限公司 2020-05-12 CN claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-6541487-B1 Administering 5-bromoquinoline, 5-nitroisoquinoline, 8-nitroisoquinoline, 3,4-dihydro-6-hydroxy-2(1H)-quinolone or 1-methylisoquinoline to relax corpus cavernosa smooth-muscle tissue in males or females R.T. ALAMO VENTURES I, LLC 2003-04-01 US claimed
WO-2002019997-A1 PDE III INHIBITORS FOR TREATING SEXUAL DYSFUNCTION CUTLER NEAL R (US) 2002-03-14 WO claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed

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-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 1412/4885TDP1 1464/4885LMNA 2680/4885
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 1775/4885TDP1 1307/4885LMNA 3867/4885

“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.