SCHEMBL7107737

SCHEMBL7107737

CCC(N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1)N1CN(Cc2cccc(F)c2)C(=O)n2cccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.45
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
KCNH2 Q12809 1/20 0.32
EEF2K O00418 1/20 0.32
DRD2 P14416 2/20 0.31
LMNA P02545 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL7108340 0.80 KIF11 (0.47) KIF11DRD2
SCHEMBL5863331 0.75 KIF11 (0.65) KIF11
SCHEMBL4066347 0.72 KIF11 (0.64) KIF11
SCHEMBL4059317 0.70 KIF11 (0.63) KIF11KCNH2
SCHEMBL3869131 0.69 KIF11 (0.52) KIF11KCNH2
SCHEMBL5863217 0.67 KIF11 (0.67) KIF11
SCHEMBL5863767 0.66 KIF11 (0.77) KIF11
SCHEMBL4066353 0.66 KIF11 (0.45) KIF11EEF2K
SCHEMBL4244627 0.64 KIF11 (0.60) KIF11
SCHEMBL4244624 0.64 KIF11 (0.60) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 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-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents CCNB1, NUMA1, CCNA1 KIF11 858/4885CTSS 3851/4885CTSK 3686/4885

“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.