SCHEMBL3583144

SCHEMBL3583144

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3cncc(C(C)(C)C)c3)ccc2C)ncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.42
RAF1 P04049 1/20 0.42
CYP2C9 P11712 1/20 0.40
LCK P06239 7/20 0.40
LYN P07948 7/20 0.40
SRC P12931 7/20 0.40
KDR P35968 7/20 0.40
INSR P06213 6/20 0.40
HCK P08631 6/20 0.40
MAPK14 Q16539 3/20 0.39
CSF1R P07333 2/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL3586452 0.94 BRAF (0.43) BRAFLCKLYNSRCKDR
SCHEMBL3591701 0.92 LCK (0.40) BRAFCYP2C9LCKLYNSRC
SCHEMBL13503056 0.90 BRAF (0.43) BRAFLCKLYNSRCKDR
SCHEMBL3590268 0.90 BRAF (0.43) BRAFRAF1CYP2C9LCKLYN
SCHEMBL3586984 0.88 MAPK14 (0.45) BRAFRAF1LCKLYNSRC
SCHEMBL3594934 0.86 LMNA (0.48) BRAFRAF1MAPK14
SCHEMBL3587353 0.86 LCK (0.40) BRAFRAF1LCKLYNSRC
SCHEMBL3594891 0.85 LCK (0.47) BRAFRAF1CYP2C9LCKLYN
SCHEMBL3582699 0.85 INSR (0.41) BRAFRAF1LCKLYNSRC
SCHEMBL3592975 0.85 BRAF (0.47) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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 (1 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885RAF1 10/4885CYP2C9 4420/4885

“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.