SCHEMBL4245519

SCHEMBL4245519

O=S(=O)(NC1CCCCC1)c1ccc(Nc2nccc(N3CCCc4c(O)cccc43)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
SYK P43405 1/20 0.42
STK4 Q13043 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
STK3 Q13188 2/20 0.39
NAMPT P43490 2/20 0.39
MTOR P42345 1/20 0.38
SMG1 Q96Q15 1/20 0.38
SHMT2 P34897 1/20 0.38

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
SCHEMBL4252261 0.86 CCNT1 (0.50) STK4MTORSMG1JAK2
SCHEMBL4247112 0.85 IKBKB (0.43) SYKMTORSMG1JAK2
SCHEMBL13911407 0.84 IKBKB (0.50) PLK1PLK3PLK2SYKMAPT
SCHEMBL13911365 0.84 AXL (0.47) ALDH1A1SMN1; SMN2LMNAMTORSMG1
SCHEMBL12231909 0.83 ALDH1A1 (0.54) PLK1PLK3PLK2SYKSTK4
SCHEMBL4247827 0.83 KDM4E (0.40) GAAMAPTMTORSMG1JAK2
SCHEMBL4251991 0.82 NAMPT (0.40) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL13911406 0.82 IKBKB (0.41) PLK1PLK3PLK2SYKALDH1A1
SCHEMBL24180552 0.82 BRD4 (0.41) PLK1PLK3PLK2SYKSTK4
SCHEMBL13911404 0.81 IKBKB (0.41) PLK1PLK3PLK2MAPTNAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563336-A Heterocyclic organic compounds for the treatment of in particular melanoma NOVARTIS AG (CH) 2009-10-21 CN disclosed
US-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 US disclosed
US-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 US disclosed
US-20090069360-A1 Organic Compounds CARAVATTI, GIORGIO (CH) 2009-03-12 US disclosed
WO-2007109045-A1 HETEROCYCLIC ORGANIC COMPOUNDS FOR THE TREATMENT OF IN PARTICULAR MELANOMA NOVARTIS AG (CH) 2007-09-27 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-20090069360-A1 Organic Compounds BRAF, MAP3K1, RAF1 GRM4 3376/4885PLK1 246/4885PLK3 241/4885

“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.