SCHEMBL5863382

SCHEMBL5863382

C=CC(O)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.55
ADORA3 P0DMS8 8/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5863057 0.82 KIF11 (0.56) KIF11ADORA3ADORA2AADORA1RAB9A
SCHEMBL5863432 0.78 KIF11 (0.55) KIF11ADORA3ADORA2AADORA1
SCHEMBL5863079 0.77 KIF11 (0.44) KIF11ADORA3ADORA2AADORA1LMNA
SCHEMBL5863440 0.76 KIF11 (0.48) KIF11ADORA3ADORA2AADORA1LMNA
SCHEMBL5863602 0.73 KIF11 (0.48) KIF11
SCHEMBL5863475 0.72 KIF11 (1.00) KIF11
SCHEMBL5863118 0.71 KIF11 (0.44) KIF11ADORA3ADORA2AADORA1
SCHEMBL5863114 0.71 KIF11 (0.44) KIF11ADORA3ADORA2AADORA1
SCHEMBL5863148 0.68 KIF11 (0.44) KIF11ADORA3KMT2A
SCHEMBL7102886 0.67 KIF11 (0.42) KIF11ADORA3ADORA2AADORA1

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 858/4885ADORA3 4153/4885ADORA2A 4504/4885

“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.