SCHEMBL5863530

SCHEMBL5863530

CCC(NCCCNC(=O)OC(C)(C)C)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
IDO1 P14902 1/20 0.37
GNRHR P30968 1/20 0.37
BRD4 O60885 2/20 0.37
MAPT P10636 1/20 0.37
PIK3CA P42336 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SYK P43405 1/20 0.36
CTSK P43235 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL4102334 0.87 KIF11 (0.46) KIF11IDO1GNRHRBRD4MAPT
SCHEMBL5863543 0.86 KIF11 (0.49) KIF11IDO1GNRHRBRD4SIGMAR1
SCHEMBL5863338 0.86 KIF11 (0.48) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL5863070 0.85 KIF11 (0.48) KIF11PIK3CA
SCHEMBL5863525 0.81 KIF11 (0.74) KIF11
SCHEMBL5863198 0.79 KIF11 (0.42) KIF11MAPTSIGMAR1SYKTLR7
SCHEMBL4252742 0.77 KIF11 (0.40) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL4252736 0.77 KIF11 (0.40) KIF11GNRHRBRD4MAPTSIGMAR1
SCHEMBL4004013 0.77 KIF11 (0.43) KIF11BRD4MAPTSIGMAR1SYK
SCHEMBL3871323 0.77 KIF11 (0.49) KIF11BRD4MAPTSIGMAR1SYK

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 858/4885IDO1 1506/4885GNRHR 4143/4885

“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.