SCHEMBL3586885

SCHEMBL3586885

CCOCCN1CCN(c2cc(Cl)cc(C(=O)Nc3ccc(C)c(Nc4cc(C)nn4-c4cc(NC)ncn4)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.41
LYN P07948 6/20 0.41
HCK P08631 6/20 0.41
SRC P12931 6/20 0.41
KDR P35968 6/20 0.41
INSR P06213 5/20 0.41
MAPK14 Q16539 6/20 0.40
BRAF P15056 7/20 0.40
MAP3K7 O43318 1/20 0.38
MAP4K2 Q12851 1/20 0.38
RAF1 P04049 1/20 0.38
ARAF P10398 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
SCHEMBL3591006 0.94 BRAF (0.45) LCKLYNHCKSRCKDR
SCHEMBL3583891 0.89 MAPK14 (0.49) LCKLYNHCKSRCKDR
SCHEMBL3594088 0.85 BRAF (0.52) LCKLYNHCKSRCKDR
SCHEMBL9967398 0.85 HCK (0.48) LCKLYNHCKSRCKDR
SCHEMBL9967396 0.83 MAPK14 (0.50) LCKLYNHCKSRCKDR
SCHEMBL3594212 0.83 LYN (0.52) LCKLYNHCKSRCKDR
SCHEMBL3585543 0.82 LYN (0.53) LCKLYNHCKSRCKDR
SCHEMBL3591200 0.82 LYN (0.60) LCKLYNHCKSRCKDR
SCHEMBL3585891 0.80 LYN (0.53) LCKLYNHCKSRCKDR
SCHEMBL3580715 0.80 LYN (0.52) LCKLYNHCKSRCKDR

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 9 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-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 LCK 3/4885LYN 12/4885HCK 79/4885

“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.