SCHEMBL4247112

SCHEMBL4247112

CS(=O)(=O)c1ccc(Nc2nccc(N3CCCc4c(O)cccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
CHUK O15111 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ROCK1 Q13464 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
CDK2 P24941 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CDK4 P11802 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CCND3 P30281 1/20 0.40

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 0.91 CCNT1 (0.50) IKBKBCHUKAURKAAURKBROCK1
SCHEMBL13911365 0.88 AXL (0.47) IKBKBCHUKCDK1CCNB1MTOR
SCHEMBL13911407 0.86 IKBKB (0.50) IKBKBCCNT1CDK1CCNB1CDK7
SCHEMBL13911389 0.86 ROCK1 (0.44) IKBKBAURKAAURKBROCK1CDK1
SCHEMBL27760699 0.85 ROCK1 (0.38) AURKAAURKBROCK1CCNT1CDK1
SCHEMBL4247827 0.85 KDM4E (0.40) IKBKBCCNT1CDK1CCNB1CDK7
SCHEMBL4245519 0.85 GRM4 (0.42) MTORSMG1JAK2SYK
SCHEMBL13911405 0.84 CDK2 (0.49) IKBKBCDK1CCNB1CDK2GSK3B
SCHEMBL13911404 0.84 IKBKB (0.41) IKBKBCDK1CDK2CDK4
SCHEMBL4245377 0.84 RET (0.39) AURKAROCK1MAPK8MAPK9JAK2

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-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 IKBKB 258/4885CHUK 73/4885AURKA 442/4885

“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.