SCHEMBL3590773

SCHEMBL3590773

CNc1cc(-n2nc(C)cc2Nc2cc(C(=O)Nc3ccnc(C(C)(C)C)c3)ccc2C)ncn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.47
LCK P06239 2/20 0.43
KDR P35968 2/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 2/20 0.41
RAF1 P04049 1/20 0.40
ARAF P10398 1/20 0.40
INSR P06213 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9967522 0.94 BRAF (0.48) BRAFLCKKDRLMNAMAPK14
SCHEMBL3594934 0.93 LMNA (0.48) BRAFNPC1LMNARAB9ASMN1; SMN2
SCHEMBL3584687 0.92 BRAF (0.48) BRAFLCKKDRRAF1
SCHEMBL3587232 0.92 BRAF (0.42) BRAFLCKKDRMAPK14RAF1
SCHEMBL3586666 0.91 BRAF (0.45) BRAFLCKKDRNPC1LMNA
SCHEMBL3589705 0.88 BRAF (0.51) BRAFLCKKDRMAPK14INSR
SCHEMBL3583992 0.88 BRAF (0.46) BRAFLCKKDRMAPK14RAF1
SCHEMBL3598049 0.88 MAPK14 (0.47) BRAFNPC1LMNARAB9ASMN1; SMN2
SCHEMBL3586800 0.87 BRAF (0.46) BRAFLCKKDRMAPK14RAF1
SCHEMBL3585854 0.87 LCK (0.54) BRAFLCKKDRMAPK14RAF1

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 10 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

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 11/4885LCK 3/4885KDR 13/4885

“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.