SCHEMBL2113968

SCHEMBL2113968

COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncncc23)cn1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.75
CYP2C9 P11712 10/20 0.75
CYP2C19 P33261 4/20 0.52
KIT P10721 2/20 0.52
KDR P35968 2/20 0.52
FLT3 P36888 2/20 0.52
AURKC Q9UQB9 2/20 0.52
CSF1R P07333 2/20 0.52
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39

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
SCHEMBL1882746 0.90 CYP3A4 (0.88) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL16811715 0.87 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL2112208 0.87 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL1886326 0.86 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL1887106 0.86 CYP3A4 (0.82) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL1887276 0.86 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL1884024 0.85 CYP2C9 (1.00) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL2114439 0.85 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL2113135 0.83 CYP3A4 (0.74) CYP3A4CYP2C9CYP2C19KITKDR
SCHEMBL2112240 0.82 CYP2C9 (0.56) CYP3A4CYP2C9CYP2C19KITKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US claimed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US claimed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-06-08 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US 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 (10 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP3A4 3734/4885CYP2C9 2880/4885CYP2C19 3085/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CYP3A4 3203/4885CYP2C9 4092/4885CYP2C19 4082/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 CYP3A4 4591/4885CYP2C9 4816/4885CYP2C19 4731/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP3A4 3734/4885CYP2C9 2880/4885CYP2C19 3085/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP3A4 3734/4885CYP2C9 2880/4885CYP2C19 3085/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH CYP3A4 3525/4885CYP2C9 4097/4885CYP2C19 3893/4885

“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.