SCHEMBL870211

SCHEMBL870211

Cn1nc(N)c2c(-c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
RIPK1 Q13546 12/20 0.44
EIF2AK3 Q9NZJ5 9/20 0.44
EIF2AK2 P19525 2/20 0.43
EIF2AK1 Q9BQI3 2/20 0.43
NTRK1 P04629 1/20 0.43
CYP1A2 P05177 1/20 0.43
LCK P06239 1/20 0.43
YES1 P07947 1/20 0.43
RET P07949 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
KIT P10721 1/20 0.43
CYP2C9 P11712 1/20 0.43
AXL P30530 1/20 0.43
CYP2C19 P33261 1/20 0.43
NEK4 P51957 1/20 0.43

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
SCHEMBL2374644 0.85 KDR (0.43) KDRFLT3RIPK1EIF2AK3EIF2AK2
SCHEMBL27975782 0.80 RIPK1 (0.58) RIPK1EIF2AK3EIF2AK2EIF2AK1NTRK1
SCHEMBL868611 0.80 RIPK1 (0.67) KDRFLT3RIPK1EIF2AK3EIF2AK2
SCHEMBL868181 0.78 EIF2AK3 (0.66) KDRFLT3RIPK1EIF2AK3EIF2AK2
SCHEMBL17794739 0.75 BRD4 (0.49) BRD4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL869029 0.75 RIPK1 (0.66) RIPK1EIF2AK3
SCHEMBL16654541 0.74 RIPK1 (0.43) BRD4RIPK1EIF2AK3CYP1A2CYP3A4
SCHEMBL869335 0.73 EIF2AK3 (0.66) BRD4KDRFLT3EIF2AK3EIF2AK2
SCHEMBL870192 0.73 EIF2AK3 (0.61) BRD4KDRRIPK1EIF2AK3EIF2AK1
SCHEMBL17785884 0.73 BRD4 (0.51) BRD4CYP1A2RETCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BRD4 1064/4885KDR 3297/4885FLT3 2923/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R BRD4 1064/4885KDR 3297/4885FLT3 2923/4885

“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.