SCHEMBL5863574

SCHEMBL5863574

CCC(NCCC(N)C(=O)OC(C)(C)C)c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.49
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MAOA P21397 1/20 0.34
P2RX3 P56373 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5863070 0.87 KIF11 (0.48) KIF11ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5863710 0.86 KIF11 (0.49) KIF11LTA4H
SCHEMBL5863338 0.74 KIF11 (0.48) KIF11BRD4
SCHEMBL5863742 0.73 KIF11 (0.48) KIF11BRD4
SCHEMBL5863318 0.71 KIF11 (0.52) KIF11ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4102334 0.70 KIF11 (0.46) KIF11BRD4
SCHEMBL5863326 0.68 KIF11 (0.57) KIF11
SCHEMBL4102984 0.68 KIF11 (0.42) KIF11ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5863300 0.66 KIF11 (1.00) KIF11
SCHEMBL6559449 0.65 LTA4H (0.53) ALDH1A1KDM4ESMN1; SMN2LTA4H

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 858/4885ALDH1A1 1027/4885HPGD 1725/4885

“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.