SCHEMBL3521391

SCHEMBL3521391

COc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)NCCN(C)C)cc4)n3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
CDK2 P24941 3/20 0.53
PKM P14618 1/20 0.51
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CASP6 P55212 1/20 0.48
CHUK O15111 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48

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
SCHEMBL3517070 0.95 IKBKB (0.59) IKBKBGAAALDH1A1LMNAMEN1
SCHEMBL3520630 0.90 IKBKB (0.70) IKBKBLMNAMEN1KMT2ACDK2
SCHEMBL3522392 0.90 IKBKB (0.70) IKBKBMEN1KMT2ACDK2CDK1
SCHEMBL3520938 0.89 GAA (0.58) IKBKBGAAALDH1A1LMNAMEN1
SCHEMBL3520047 0.89 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3524640 0.86 IKBKB (0.73) IKBKBMEN1KMT2ACDK2CDK1
SCHEMBL3519868 0.85 IKBKB (0.68) IKBKBLMNAMEN1KMT2ACDK2
SCHEMBL3516422 0.83 IKBKB (0.64) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3522186 0.83 IKBKB (0.71) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3517828 0.82 IKBKB (0.72) IKBKBALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3246/4885GAA 4024/4885ALDH1A1 1072/4885

“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.