SCHEMBL5863323

SCHEMBL5863323

CCC(NC(=O)c1ccc(C)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.62
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
FPR1 P21462 1/20 0.45
PPARG P37231 5/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5863318 0.82 KIF11 (0.52) KIF11
SCHEMBL5863205 0.81 KIF11 (0.51) KIF11GAARXFP1TP53
SCHEMBL5863537 0.79 KIF11 (0.81) KIF11
SCHEMBL5863490 0.78 KIF11 (0.51) KIF11TP53POLB
SCHEMBL5863220 0.78 KIF11 (0.56) KIF11TP53
SCHEMBL5863512 0.77 KIF11 (0.51) KIF11PPARG
SCHEMBL5863326 0.77 KIF11 (0.57) KIF11
SCHEMBL5863703 0.77 KIF11 (0.49) KIF11TP53POLB
SCHEMBL5863650 0.77 KIF11 (0.89) KIF11
SCHEMBL5863202 0.76 KIF11 (0.55) 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 858/4885GAA 2298/4885RXFP1 4252/4885

“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.