SCHEMBL5863543

SCHEMBL5863543

CC(C)(C)OC(=O)NCCCNC(c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.49
GNRHR P30968 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACE P12821 1/20 0.36
IDO1 P14902 1/20 0.35
BRD4 O60885 2/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 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
SCHEMBL5863530 0.86 KIF11 (0.47) KIF11GNRHRSIGMAR1IDO1BRD4
SCHEMBL5863466 0.84 KIF11 (0.49) KIF11SIGMAR1FNTAFNTBPGGT1B
SCHEMBL5863238 0.81 KIF11 (0.75) KIF11KCNH2
SCHEMBL4252650 0.79 GNRHR (0.36) KIF11GNRHRSIGMAR1FNTAFNTB
SCHEMBL4248640 0.76 KMT2A (0.39) KIF11GNRHRSIGMAR1FNTAFNTB
SCHEMBL5863525 0.76 KIF11 (0.74) KIF11
SCHEMBL4102334 0.74 KIF11 (0.46) KIF11GNRHRSIGMAR1KMT2AL3MBTL1
SCHEMBL5863209 0.73 KIF11 (0.56) KIF11L3MBTL1
SCHEMBL5863338 0.73 KIF11 (0.48) KIF11GNRHRSIGMAR1BRD4
SCHEMBL5863800 0.72 KIF11 (0.55) KIF11L3MBTL1

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 858/4885GNRHR 4143/4885SIGMAR1 2044/4885

“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.