SCHEMBL5863198

SCHEMBL5863198

CCC(NCCCNC(=O)OC(C)(C)C)c1nn2ccc(C(=O)OC)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.42
SYK P43405 1/20 0.36
TLR7 Q9NYK1 4/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
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
SCHEMBL5863338 0.85 KIF11 (0.48) KIF11SYKTLR7MAPTSIGMAR1
SCHEMBL5863270 0.81 KIF11 (0.66) KIF11
SCHEMBL5863530 0.79 KIF11 (0.47) KIF11SYKTLR7MAPTSIGMAR1
SCHEMBL5863602 0.78 KIF11 (0.48) KIF11TLR7NPFFR1NPFFR2SIGMAR1
SCHEMBL4102334 0.78 KIF11 (0.46) KIF11TLR7MAPTSIGMAR1KMT2A
SCHEMBL5863148 0.78 KIF11 (0.44) KIF11KDM4EKMT2ASMN1; SMN2
SCHEMBL5863466 0.77 KIF11 (0.49) KIF11TLR7NPFFR1NPFFR2SIGMAR1
SCHEMBL5863710 0.77 KIF11 (0.49) KIF11KMT2A
SCHEMBL3901568 0.76 KIF11 (0.49) KIF11SYKTLR7MAPTSIGMAR1
SCHEMBL5863329 0.76 KIF11 (0.68) 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 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 858/4885SYK 3976/4885TLR7 4290/4885

“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.