SCHEMBL3934672

SCHEMBL3934672

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 1.00
CYP2C9 P11712 5/20 0.81
CSF1R P07333 1/20 0.75

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
SCHEMBL22364998 0.94 BRAF (0.89) BRAFCYP2C9CSF1R
SCHEMBL3934897 0.90 BRAF (0.82) BRAFCYP2C9CSF1R
SCHEMBL3943781 0.90 BRAF (0.82) BRAFCYP2C9CSF1R
SCHEMBL3937762 0.90 BRAF (0.82) BRAFCYP2C9CSF1R
SCHEMBL3939573 0.90 BRAF (0.81) BRAFCYP2C9CSF1R
SCHEMBL3934910 0.90 BRAF (0.81) BRAFCYP2C9CSF1R
SCHEMBL3934396 0.89 BRAF (1.00) BRAFCYP2C9CSF1R
SCHEMBL3934255 0.89 BRAF (0.83) BRAFCYP2C9CSF1R
SCHEMBL4011667 0.89 BRAF (0.80) BRAFCYP2C9CSF1R
SCHEMBL3931650 0.89 BRAF (1.00) BRAFCYP2C9CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4108248-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS Biomed Valley Discoveries, Inc. (US) 2022-12-28 EP disclosed
US-20220378852-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS THE JOHNS HOPKINS UNIVERSITY 2022-12-01 US disclosed
EP-3730146-B1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS BIOMED VALLEY DISCOVERIES INC (US) 2022-05-04 EP disclosed
US-20220117950-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS BIOMED VALLEY DISCOVERIES, INC. 2022-04-21 US disclosed
US-11246859-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers BIOMED VALLEY DISCOVERIES, INC. (US) 2022-02-15 US disclosed
EP-3082800-B1 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2022-02-02 EP disclosed
US-11007183-B2 Cancer treatments using combinations of PI3K/Akt pathway and ERK inhibitors BIOMED VALLEY DISCOVERIES, INC. (US) 2021-05-18 US disclosed
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BIOMED VALLEY DISCOVERIES, INC. 2021-03-25 US disclosed
US-20210038587-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS BIOMED VALLEY DISCOVERIES, INC. 2021-02-11 US disclosed
US-10881646-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers BIOMED VALLEY DISCOVERIES, INC. (US) 2021-01-05 US disclosed
US-20160221987-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. 2016-08-04 US disclosed
US-20160221988-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE 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
WO-2015191610-A2 COMBINATION THERAPIES USING AGENTS THAT TARGET TUMOR-ASSOCIATED STROMA OR TUMOR CELLS AND OTHER PATHWAYS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-12-17 WO disclosed
WO-2015095819-A2 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO disclosed
WO-2015095829-A1 CANCER TREATMENTS USING COMBINATIONS OF PI3K/AKT PATHWAY AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES, INC. (US) 2015-06-25 WO disclosed
WO-2014160967-A9 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS BIOMED VALLEY DISCOVERIES, INC. (US) 2014-12-24 WO disclosed
WO-2014160967-A2 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS BIOMED VALLEY DISCOVERIES, INC. (US) 2014-10-02 WO disclosed
WO-2014160950-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS BIOMED VALLEY DISCOVERIES, INC. (US) 2014-10-02 WO disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP 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-11007183-B2 Cancer treatments using combinations of PI3K/Akt pathway and ERK inhibitors KRAS, BRAF, NRAS BRAF 2/4885CYP2C9 3618/4885CSF1R 1920/4885
US-10881646-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers MAP3K1, MAP3K2, MAP3K6 BRAF 40/4885CYP2C9 4483/4885CSF1R 3809/4885
US-20160045556-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS MKI67, HCCS, NCF1 BRAF 147/4885CYP2C9 3390/4885CSF1R 2515/4885
US-20220117950-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS MAP3K1, MAP3K2, MAP3K6 BRAF 40/4885CYP2C9 4483/4885CSF1R 3809/4885
US-20160221988-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE MAL2, ME1, SLC22A11 BRAF 1869/4885CYP2C9 368/4885CSF1R 2602/4885
US-20220378852-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS HCCS, MKI67, PBK BRAF 224/4885CYP2C9 3304/4885CSF1R 2558/4885
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BRAF, NRAS, KRAS BRAF 1/4885CYP2C9 4647/4885CSF1R 2384/4885
US-20210038587-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS MAP3K1, MAP3K2, MAP3K6 BRAF 40/4885CYP2C9 4483/4885CSF1R 3809/4885
US-11246859-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers MAP3K1, MAP3K2, MAP3K6 BRAF 40/4885CYP2C9 4483/4885CSF1R 3809/4885
US-20160221987-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 BRAF 1621/4885CYP2C9 52/4885CSF1R 2921/4885

“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.