SCHEMBL1015664

SCHEMBL1015664

Cc1cccc(COc2ccc([N+](=O)[O-])cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
LMNA P02545 5/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.50
S1PR4 O95977 5/20 0.48
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL6068789 0.88 LMNA (0.53) MAPTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL28927693 0.82 LMNA (0.51) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL23538123 0.81 MAPT (0.50) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL215759 0.81 MAPT (0.58) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL30218362 0.81 MAPT (0.58) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL29780767 0.81 MAPT (0.58) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8288272 0.80 MRGPRX4 (0.64) MAPTLMNAHPGDNPC1S1PR4
SCHEMBL10227870 0.80 MRGPRX4 (0.53) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL8288267 0.80 GRM5 (0.61) MAPTLMNAHPGDSMN1; SMN2KMT2A
SCHEMBL4413955 0.80 MAPT (0.51) MAPTLMNAHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 US disclosed
CN-113382986-A Tyrosine kinase inhibitor compositions, methods of making and methods of using the same 黑钻治疗公司 2021-09-10 CN disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 US disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
CN-102711472-B Phosphorous quinazoline compound and using method thereof JIANGSU KANION PHARMACEUTICAL Co.,Ltd. (CN) 2015-12-02 CN disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-8501755-B2 Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US disclosed
EP-1799653-B1 Condensed thienopyrimidine derivatives for the treatment of cancer BAYER IP GMBH (DE) 2013-03-20 EP disclosed
CN-101448840-B Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER SCHERING PHARMA AG (DE) 2011-12-14 CN disclosed
US-20110172224-A1 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2011-07-14 US disclosed
EP-2001890-B1 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND USE FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS BAYER SCHERING PHARMA AG (DE) 2011-01-12 EP disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 WO disclosed
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof BAYER HEALTHCARE AG (DE) 2010-11-25 US disclosed
CN-101448840-A Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER PHARMACEUTICALS CORP (DE) 2009-06-03 CN disclosed
EP-2001890-A2 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Bayer HealthCare AG (DE) 2008-12-17 EP disclosed
WO-2007109279-A2 TETRAHYDROPYRIDOTHIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER HEALTHCARE AG (DE) 2007-09-27 WO disclosed
EP-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 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 (5 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-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use ERBB2, ERBB3, EGFR MAPT 3743/4885LMNA 4682/4885HPGD 2964/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR MAPT 3743/4885LMNA 4682/4885HPGD 2964/4885
US-20100298297-A1 Tetrahydropyridothienopyrimidine Compounds and Methods of Use Thereof DPYD, TYMP, TPMT MAPT 2476/4885LMNA 4106/4885HPGD 96/4885
US-20110172224-A1 NOVEL HETEROCYCLES CCNI, PCNA, CCNA1 MAPT 4763/4885LMNA 850/4885HPGD 71/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR MAPT 3743/4885LMNA 4682/4885HPGD 2964/4885

“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.