SCHEMBL5863290

SCHEMBL5863290

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
CASP3 P42574 3/20 0.40
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 0.39
MDM2 Q00987 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
SCHEMBL5863156 0.76 KMT2A (0.44) KIF11CASP3
SCHEMBL5863070 0.71 KIF11 (0.48) KIF11
SCHEMBL4102984 0.68 KIF11 (0.42) KIF11
SCHEMBL6795717 0.68 KMT2A (0.54) CASP3MDM4TP53
SCHEMBL21809388 0.67 PIK3CG (0.50) MDM4TP53MDM2
SCHEMBL21809386 0.67 PIK3CG (0.50) MDM4TP53MDM2
SCHEMBL31675022 0.67 MDM4 (0.60) CASP3MDM4TP53MDM2
SCHEMBL178787 0.67 MDM4 (0.60) CASP3MDM4TP53MDM2
SCHEMBL29401430 0.67 MDM4 (0.60) CASP3MDM4TP53MDM2
SCHEMBL118051 0.67 MDM4 (0.60) CASP3MDM4TP53MDM2

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 858/4885CASP3 357/4885MDM4 541/4885

“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.