SCHEMBL5863490

SCHEMBL5863490

CCCCNC(CC)c1nn2cccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.51
PIK3CD O00329 4/20 0.42
PIK3R1 P27986 4/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
UTS2R Q9UKP6 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5863326 0.92 KIF11 (0.57) KIF11PIK3CDPIK3R1
SCHEMBL5863205 0.88 KIF11 (0.51) KIF11PIK3CDPIK3R1TP53MAPT
SCHEMBL5863338 0.84 KIF11 (0.48) KIF11PIK3CDPIK3R1MAPT
SCHEMBL5863156 0.80 KMT2A (0.44) KIF11PIK3CDPIK3R1
SCHEMBL5863703 0.80 KIF11 (0.49) KIF11PIK3CDPIK3R1TP53POLB
SCHEMBL5863742 0.80 KIF11 (0.48) KIF11PIK3CDPIK3R1TP53
SCHEMBL5863470 0.79 KIF11 (0.62) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5863202 0.79 KIF11 (0.55) KIF11PIK3CDPIK3R1PDE4APDE4B
SCHEMBL5863220 0.79 KIF11 (0.56) KIF11PIK3CDPIK3R1TP53PDE4A
SCHEMBL5863179 0.79 KIF11 (0.49) KIF11PIK3CDPIK3R1TP53POLB

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 4 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
EP-1519729-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2005-04-06 EP 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
WO-2003099286-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO 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 858/4885PIK3CD 1701/4885PIK3R1 1822/4885

“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.