SCHEMBL3518983

SCHEMBL3518983

CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)CCCc4cccs4)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.61
JAK2 O60674 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
POLB P06746 2/20 0.46
RECQL P46063 2/20 0.46
ESR2 Q92731 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
ESR1 P03372 1/20 0.46
DNMT1 P26358 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CDK2 P24941 3/20 0.46
CDK1 P06493 1/20 0.45

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
SCHEMBL3519734 0.96 IKBKB (0.59) IKBKBJAK2HDAC1HDAC6POLB
SCHEMBL3518389 0.96 IKBKB (0.62) IKBKBJAK2HDAC1HDAC6POLB
SCHEMBL3516470 0.92 IKBKB (0.70) IKBKBPOLBRECQLESR2HSD17B10
SCHEMBL3518078 0.89 IKBKB (0.59) IKBKBJAK2HDAC1HDAC6POLB
SCHEMBL3517828 0.87 IKBKB (0.72) IKBKBPOLBRECQLESR2HSD17B10
SCHEMBL3518611 0.86 IKBKB (0.58) IKBKBJAK2HDAC1HDAC6POLB
SCHEMBL4722037 0.86 IKBKB (0.64) IKBKBJAK2HDAC6CDK2CDK1
SCHEMBL3518329 0.86 IKBKB (0.66) IKBKBJAK2POLBMEN1ALDH1A1
SCHEMBL3517708 0.83 IKBKB (0.78) IKBKBJAK2HDAC1HDAC6POLB
SCHEMBL3519790 0.82 IKBKB (0.70) IKBKBJAK2HDAC1HDAC6CDK2

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 IKBKB 3246/4885JAK2 341/4885HDAC1 2929/4885

“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.