SCHEMBL5863536

SCHEMBL5863536

CC(C)(C)OC(=O)NCCCNCc1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
KIF11 P52732 6/20 0.41
GNRHR P30968 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
CACNA1G O43497 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5863602 0.82 KIF11 (0.48) NPFFR1NPFFR2KIF11TLR7SIGMAR1
SCHEMBL5863466 0.81 KIF11 (0.49) NPFFR1NPFFR2KIF11TLR7SIGMAR1
SCHEMBL5863192 0.76 KIF11 (0.68) KIF11
SCHEMBL5863482 0.75 KIF11 (0.75) KIF11
SCHEMBL6559442 0.74 ATM (0.55) SIGMAR1CYP3A4IDO1NPSR1
SCHEMBL4708016 0.74 MEN1 (0.52) SIGMAR1STK17BSTK17AIDO1
SCHEMBL5863198 0.73 KIF11 (0.42) NPFFR1NPFFR2KIF11TLR7SIGMAR1
SCHEMBL13426175 0.72 ATM (0.55) SIGMAR1CYP3A4IDO1NPSR1
SCHEMBL12933537 0.72 PTGDR2 (0.46)
SCHEMBL16151782 0.71 MAOA (0.56) CACNA1GSIGMAR1CYP3A4IDO1NPSR1

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
US-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
EP-1519729-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2005-04-06 EP 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
WO-2003099286-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (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 NPFFR1 360/4885NPFFR2 524/4885KIF11 858/4885

“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.