SCHEMBL6927615

SCHEMBL6927615

CC(C)c1cncc2[nH]nc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.50
PDPK1 O15530 5/20 0.36
GAA P10253 2/20 0.36
AURKA O14965 1/20 0.35
TGFBR1 P36897 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDR P35968 7/20 0.35
KIT P10721 3/20 0.35
FLT3 P36888 3/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
CSF1R P07333 2/20 0.35
LYN P07948 2/20 0.35
SRC P12931 2/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
BLK P51451 2/20 0.35
ABL1 P00519 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
CDC7 O00311 2/20 0.35

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
SCHEMBL27010929 0.80 BTK (0.35) BTK
SCHEMBL16475286 0.75 PDPK1 (0.56) BTKPDPK1GAAAURKATGFBR1
SCHEMBL9605473 0.73 CHEK1 (0.34) BTKPDPK1GAAAURKATGFBR1
SCHEMBL17028038 0.72 GAA (0.56) BTKPDPK1GAAAURKAAURKB
SCHEMBL5550935 0.72 BTK (0.43) BTKPDPK1GAAAURKAAURKB
SCHEMBL25950681 0.71 BTK (0.43) BTKPDPK1GAAKDRKIT
SCHEMBL27010932 0.68 FFAR1 (0.32)
SCHEMBL6115796 0.67 BTK (1.00) BTKAURKAAURKBKDRKIT
SCHEMBL20153657 0.67 P2RX3 (0.33)
SCHEMBL1703256 0.66 BTK (0.67) BTKPDPK1AURKAAURKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (3 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B BTK 3707/4885PDPK1 1292/4885GAA 790/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BTK 2336/4885PDPK1 128/4885GAA 2096/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BTK 2336/4885PDPK1 128/4885GAA 2096/4885

“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.