SCHEMBL3518263

SCHEMBL3518263

CN(C)c1ccc(NS(=O)(=O)c2ccc(Nc3nccc(-c4cccc5ccccc45)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.52
CCNT1 O60563 10/20 0.52
IKBKB O14920 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
MCL1 Q07820 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CDK1 P06493 2/20 0.44
AURKA O14965 1/20 0.44
CDK4 P11802 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL4138273 0.81 ABL1 (0.57) IKBKBALDH1A1TDP1LMNAMAPT
SCHEMBL4883342 0.80 ALDH1A1 (0.57) ALDH1A1TDP1LMNAMAPTMAPK1
SCHEMBL4147159 0.76 CDK9 (0.51) CDK9CCNT1IKBKBCDK1AURKA
SCHEMBL6513209 0.75 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTMAPK1
SCHEMBL4517500 0.72 FLT3 (0.60) CDK9CCNT1CDK1AURKACDK4
SCHEMBL4667473 0.71 MEN1 (0.51) CDK9CCNT1ALDH1A1LMNAMAPT
SCHEMBL3770552 0.70 CDK1 (0.77) CDK1CCNE1CDK2CCNB1
SCHEMBL7476302 0.70 CDK2 (0.58) CDK9IKBKBCDK1AURKACDK4
SCHEMBL3522127 0.70 IKBKB (0.69) IKBKBALDH1A1CDK1CDK4CDK2
SCHEMBL4901606 0.70 IKBKB (0.57) CDK9CCNT1IKBKBALDH1A1LMNA

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-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 CDK9 138/4885CCNT1 20/4885IKBKB 3246/4885

“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.