SCHEMBL4765016

SCHEMBL4765016

CNc1ncc(Nc2ncnc3c(-c4ccc5nc(NC)ncc5c4)c(C)ccc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.61
BRAF P15056 5/20 0.61
KDR P35968 11/20 0.52
MAPK14 Q16539 11/20 0.52
TEK Q02763 2/20 0.51
EGFR P00533 3/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
JAK3 P52333 7/20 0.40
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11888972 0.93 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL11889409 0.93 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL4772175 0.88 LCK (0.60) LCKBRAFKDRMAPK14TEK
SCHEMBL4768484 0.87 BRAF (0.59) LCKBRAFKDRMAPK14TEK
SCHEMBL4763359 0.86 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL2264429 0.86 LCK (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL5471596 0.86 LCK (0.54) LCKBRAFKDRMAPK14TEK
SCHEMBL4764961 0.86 BRAF (0.56) LCKBRAFKDRMAPK14TEK
SCHEMBL11967615 0.86 LCK (0.53) LCKBRAFKDRMAPK14TEK
SCHEMBL11889161 0.85 BRAF (0.52) LCKBRAFKDRMAPK14TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP claimed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP claimed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO claimed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 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 (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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 LCK 392/4885BRAF 1/4885KDR 578/4885

“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.