SCHEMBL4658461

SCHEMBL4658461

COC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 1.00
RAF1 P04049 1/20 0.66
MAPK14 Q16539 1/20 0.66

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
SCHEMBL16134231 0.97 BRAF (0.93) BRAFRAF1MAPK14
SCHEMBL4656896 0.92 BRAF (0.85) BRAF
SCHEMBL4656005 0.92 BRAF (1.00) BRAF
SCHEMBL4656688 0.91 BRAF (0.84) BRAFRAF1MAPK14
SCHEMBL4656510 0.91 BRAF (1.00) BRAFRAF1MAPK14
SCHEMBL4655940 0.90 BRAF (0.82) BRAFRAF1MAPK14
SCHEMBL4656659 0.90 BRAF (0.81) BRAFRAF1MAPK14
SCHEMBL4657119 0.89 BRAF (0.82) BRAFRAF1MAPK14
SCHEMBL4655933 0.89 BRAF (0.80) BRAFRAF1MAPK14
SCHEMBL4657253 0.89 BRAF (0.82) BRAFRAF1MAPK14

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP claimed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO claimed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US claimed
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BIOMED VALLEY DISCOVERIES, INC. 2021-03-25 US disclosed
US-10758526-B2 Combination therapies using agents that target tumor-associated stroma or tumor cells and other pathways THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES NATIONAL INSTITUTES OF HEALTH (US) 2020-09-01 US disclosed
US-10738027-B2 Crystalline forms of C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. (US) 2020-08-11 US disclosed
US-20190127348-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. 2019-05-02 US disclosed
US-20170320851-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. 2017-11-09 US disclosed
US-20170320850-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE ALBANY MOLECULAR RESEARCH, INC. 2017-11-09 US disclosed
US-9676746-B2 Crystalline forms of C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. (US) 2017-06-13 US disclosed
US-20170095575-A1 COMBINATION THERAPIES USING AGENTS THAT TARGET TUMOR-ASSOCIATED STROMA OR TUMOR CELLS AND OTHER PATHWAYS BIOMED VALLEY DISCOVERIES, INC. (US) 2017-04-06 US disclosed
US-20160221987-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. 2016-08-04 US disclosed
US-20160045556-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS BIOMED VALLEY DISCOVERIES, INC. (US) 2016-02-18 US disclosed
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20190127348-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 BRAF 1621/4885RAF1 2308/4885MAPK14 3416/4885
US-10758526-B2 Combination therapies using agents that target tumor-associated stroma or tumor cells and other pathways IGLV6-57, IGSF11, TNFRSF9 BRAF 2156/4885RAF1 3458/4885MAPK14 3320/4885
US-20160045556-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS MKI67, HCCS, NCF1 BRAF 147/4885RAF1 849/4885MAPK14 4066/4885
US-20170095575-A1 COMBINATION THERAPIES USING AGENTS THAT TARGET TUMOR-ASSOCIATED STROMA OR TUMOR CELLS AND OTHER PATHWAYS IGLV6-57, IGSF11, TNFRSF9 BRAF 2156/4885RAF1 3458/4885MAPK14 3320/4885
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BRAF, NRAS, KRAS BRAF 1/4885RAF1 4/4885MAPK14 142/4885
US-10738027-B2 Crystalline forms of C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 BRAF 1621/4885RAF1 2308/4885MAPK14 3416/4885
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS BRAF 289/4885RAF1 652/4885MAPK14 2409/4885
US-20160221987-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 BRAF 1621/4885RAF1 2308/4885MAPK14 3416/4885
US-20170320851-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 BRAF 1621/4885RAF1 2308/4885MAPK14 3416/4885
US-20170320850-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE MAL2, ME1, SLC22A11 BRAF 1869/4885RAF1 1985/4885MAPK14 1012/4885

“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.