SCHEMBL5863742

SCHEMBL5863742

CCC(NCCC(C)(C)NC(=O)OC(C)(C)C)c1nn2cccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.48
PIK3CD O00329 4/20 0.36
PIK3R1 P27986 4/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SYK P43405 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5863400 0.93 KIF11 (0.49) KIF11PIK3CDPIK3R1BRD4KMT2A
SCHEMBL5863338 0.88 KIF11 (0.48) KIF11PIK3CDPIK3R1BRD4SYK
SCHEMBL5863318 0.86 KIF11 (0.52) KIF11PIK3CDPIK3R1BRD4KMT2A
SCHEMBL5863490 0.80 KIF11 (0.51) KIF11PIK3CDPIK3R1TP53
SCHEMBL5863516 0.79 KIF11 (0.68) KIF11
SCHEMBL5863205 0.78 KIF11 (0.51) KIF11PIK3CDPIK3R1TP53
SCHEMBL5863326 0.78 KIF11 (0.57) KIF11PIK3CDPIK3R1
SCHEMBL5899029 0.78 KIF11 (0.47) KIF11BRD4KMT2AL3MBTL1TP53
SCHEMBL5863446 0.77 KIF11 (0.76) KIF11
SCHEMBL4102334 0.74 KIF11 (0.46) KIF11BRD4KMT2AL3MBTL1

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-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
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 858/4885PIK3CD 1701/4885PIK3R1 1822/4885

“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.