SCHEMBL5863602

SCHEMBL5863602

C=CC(NCCCNC(=O)OC(C)(C)C)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
DRD2 P14416 5/20 0.37
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5863466 0.86 KIF11 (0.49) KIF11NPFFR1NPFFR2SIGMAR1DRD2
SCHEMBL5863536 0.82 NPFFR1 (0.41) KIF11NPFFR1NPFFR2SIGMAR1STK17B
SCHEMBL5863198 0.78 KIF11 (0.42) KIF11NPFFR1NPFFR2SIGMAR1TLR7
SCHEMBL5863192 0.76 KIF11 (0.68) KIF11DRD2
SCHEMBL5863482 0.75 KIF11 (0.75) KIF11
SCHEMBL5863338 0.75 KIF11 (0.48) KIF11SIGMAR1TLR7NPSR1
SCHEMBL5863710 0.73 KIF11 (0.49) KIF11
SCHEMBL5863382 0.73 KIF11 (0.55) KIF11
SCHEMBL5863530 0.71 KIF11 (0.47) KIF11SIGMAR1TLR7NPSR1
SCHEMBL14408888 0.71 KIF11 (0.45) KIF11SIGMAR1NPSR1

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 858/4885NPFFR1 360/4885NPFFR2 524/4885

“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.