SCHEMBL5863656

SCHEMBL5863656

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 4/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PIK3CD O00329 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL5863148 0.85 KIF11 (0.44) KIF11KMT2AKDM4ESMN1; SMN2MAPK8
SCHEMBL5863347 0.76 KMT2A (0.42) KMT2AKDM4ESMN1; SMN2MAPK8ALDH1A1
SCHEMBL5863198 0.75 KIF11 (0.42) KIF11KMT2AKDM4ESMN1; SMN2
SCHEMBL5863434 0.72 KIF11 (0.80) KIF11
SCHEMBL5863206 0.72 KMT2A (0.39) KIF11KMT2AKDM4ESMN1; SMN2MAPK8
SCHEMBL5863203 0.72 KMT2A (0.39) KIF11KMT2AKDM4ESMN1; SMN2MAPK8
SCHEMBL5863407 0.71 TSHR (0.52) KMT2AKDM4ESMN1; SMN2ALDH1A1ADORA3
SCHEMBL13120820 0.62 MAPK8 (0.49) KMT2AKDM4ESMN1; SMN2MAPK8ALDH1A1
SCHEMBL5863382 0.62 KIF11 (0.55) KIF11KMT2AADORA3
SCHEMBL5863220 0.61 KIF11 (0.56) KIF11ALDH1A1PIK3CD

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 858/4885KMT2A 325/4885KDM4E 1096/4885

“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.