SCHEMBL3520859

SCHEMBL3520859

O=[N+]([O-])c1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.76
PIK3CA P42336 5/20 0.64
PIK3CB P42338 5/20 0.64
PIK3CG P48736 5/20 0.64
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
CHUK O15111 1/20 0.60
PLK1 P53350 1/20 0.57
CDK2 P24941 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PRKCA P17252 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 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
SCHEMBL3518539 0.88 IKBKB (0.70) IKBKBPIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3520003 0.88 IKBKB (0.69) IKBKBPIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3518431 0.86 IKBKB (1.00) IKBKBCDK2MAPK8MAPK10
SCHEMBL3521505 0.86 KDM4E (0.66) IKBKBPIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3521763 0.83 IKBKB (0.76) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL4028080 0.82 IKBKB (0.74) IKBKBPIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3521184 0.80 IKBKB (1.00) IKBKBCDK2ABL1
SCHEMBL3518295 0.79 IKBKB (0.76) IKBKBCHUKMAPK8MAPK10
SCHEMBL3516849 0.79 IKBKB (0.68) IKBKBCHUKCDK2MAPK8MAPK10
SCHEMBL2564566 0.78 CA1 (0.61) KMT2AMEN1

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 3246/4885PIK3CA 506/4885PIK3CB 1605/4885

“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.