SCHEMBL9967398

SCHEMBL9967398

CCN1CCN(c2cc(C)cc(C(=O)Nc3ccc(C)c(Nc4cc(C)nn4-c4cc(NC)ncn4)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 5/20 0.48
INSR P06213 3/20 0.48
LCK P06239 3/20 0.48
LYN P07948 3/20 0.48
SRC P12931 3/20 0.48
KDR P35968 3/20 0.48
BRAF P15056 7/20 0.45
MAPK14 Q16539 7/20 0.42
MAP3K7 O43318 1/20 0.42
FES P07332 1/20 0.42
FER P16591 1/20 0.42
GCK P35557 1/20 0.42
NR2C2 P49116 1/20 0.42
MAP4K2 Q12851 1/20 0.42
RAF1 P04049 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.40
KLK7 P49862 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
SCHEMBL9967396 0.92 MAPK14 (0.50) HCKINSRLCKLYNSRC
SCHEMBL9967397 0.92 INSR (0.47) HCKINSRLCKLYNSRC
SCHEMBL3591200 0.91 LYN (0.60) HCKINSRLCKLYNSRC
SCHEMBL9967402 0.91 HCK (0.48) HCKINSRLCKLYNSRC
SCHEMBL9967399 0.90 LYN (0.46) HCKINSRLCKLYNSRC
SCHEMBL3591006 0.85 BRAF (0.45) HCKINSRLCKLYNSRC
SCHEMBL3583891 0.85 MAPK14 (0.49) HCKINSRLCKLYNSRC
SCHEMBL3586885 0.85 LCK (0.41) HCKINSRLCKLYNSRC
SCHEMBL3585891 0.85 LYN (0.53) HCKINSRLCKLYNSRC
SCHEMBL9967400 0.85 MAPK14 (0.49) HCKINSRLCKLYNSRC

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 2 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 disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US 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 HCK 79/4885INSR 931/4885LCK 3/4885

“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.