SCHEMBL3522502

SCHEMBL3522502

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN(C)C)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.66
CDK2 P24941 2/20 0.62
CDK4 P11802 1/20 0.60
PIK3CA P42336 3/20 0.58
PIK3CB P42338 3/20 0.58
PIK3CG P48736 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CHUK O15111 1/20 0.57
CDK5 Q00535 2/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CDK5R1 Q15078 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
SCHEMBL3516442 0.85 CDK2 (0.57) IKBKBCDK2CDK4CHUK
SCHEMBL3522392 0.84 IKBKB (0.70) IKBKBCDK2CDK4PIK3CAPIK3CB
SCHEMBL3520047 0.84 IKBKB (0.59) IKBKBPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3520392 0.82 IKBKB (0.76) IKBKBPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3516920 0.82 IKBKB (0.67) IKBKBCDK2CDK4MAPK8MAPK10
SCHEMBL3518688 0.80 IKBKB (0.63) IKBKBPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3520678 0.80 IKBKB (1.00) IKBKBPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL3520086 0.79 PIK3CA (0.62) IKBKBCDK2CDK4PIK3CAPIK3CB
SCHEMBL3524787 0.79 IKBKB (0.61) IKBKBCDK2CDK4PIK3CAPIK3CB
SCHEMBL3517070 0.78 IKBKB (0.59) IKBKBCDK2PIK3CAPIK3CBPIK3CG

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 2 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

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 3246/4885CDK2 11/4885CDK4 69/4885

“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.