SCHEMBL3591101

SCHEMBL3591101

CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Nc4cc(C)nn4-c4cc(NC)ncn4)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.54
DDR2 Q16832 1/20 0.51
MAP3K7 O43318 1/20 0.48
FES P07332 1/20 0.48
HCK P08631 1/20 0.48
FER P16591 1/20 0.48
GCK P35557 1/20 0.48
NR2C2 P49116 1/20 0.48
MAP4K2 Q12851 1/20 0.48
MAPK14 Q16539 1/20 0.48

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
SCHEMBL3583692 0.94 BRAF (0.61) BRAF
SCHEMBL3590706 0.91 CSF1R (0.47) BRAFDDR2MAP3K7FESHCK
SCHEMBL3590408 0.88 BRAF (0.47) BRAFDDR2MAP3K7HCKMAP4K2
SCHEMBL3594586 0.86 MAP4K2 (0.49) BRAFMAP3K7HCKMAP4K2MAPK14
SCHEMBL3586278 0.86 CSF1R (0.51) BRAF
SCHEMBL3585833 0.86 CSF1R (0.51) BRAFHCK
SCHEMBL14218840 0.86 BRAF (0.50) BRAF
SCHEMBL3589389 0.86 MAP4K2 (0.48) BRAFMAP3K7HCKMAP4K2MAPK14
SCHEMBL3589848 0.85 BRAF (0.49) BRAFMAPK14
SCHEMBL3587792 0.85 CSF1R (0.51) BRAFDDR2HCKMAPK14

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 11 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
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-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
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 11/4885DDR2 437/4885MAP3K7 37/4885

“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.