SCHEMBL2298981

SCHEMBL2298981

CC(C)c1cc(CNc2ncc(-c3cc(C4CC4)[nH]n3)c(N)n2)on1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.62
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
EPHB6 O15197 1/20 0.50
STK10 O94804 1/20 0.50
PRKD3 O94806 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
YES1 P07947 1/20 0.50
LYN P07948 1/20 0.50
RET P07949 1/20 0.50
HCK P08631 1/20 0.50
BCR P11274 1/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50

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
SCHEMBL2321821 0.83 IGF1R (0.65) IGF1R
SCHEMBL15058709 0.80 IGF1R (0.54) IGF1RNTRK1
SCHEMBL1788757 0.78 IGF1R (0.64) IGF1R
SCHEMBL1792170 0.78 IGF1R (0.63) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1793551 0.77 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1793018 0.77 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1792868 0.77 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL11340615 0.76 IGF1R (1.00) IGF1RNTRK1
SCHEMBL14722563 0.76 IGF1R (0.40) IGF1R
SCHEMBL1791491 0.76 IGF1R (0.64) IGF1RBMPR1BPLK4AURKAEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS IGF1R 2279/4885BMPR1B 3814/4885PLK4 783/4885

“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.