SCHEMBL3521141

SCHEMBL3521141

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN(C)C)c(Cl)c3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.49
CDK2 P24941 7/20 0.44
CDC7 O00311 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
PIK3CA P42336 5/20 0.42
PIK3CG P48736 5/20 0.42
PIK3CB P42338 2/20 0.42
CDK1 P06493 4/20 0.42
JAK2 O60674 2/20 0.42
EGFR P00533 2/20 0.42
PTK2B Q14289 1/20 0.42
CDK4 P11802 1/20 0.42
MTOR P42345 3/20 0.41
FLT3 P36888 1/20 0.41
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL3521501 0.95 IKBKB (0.50) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3516749 0.93 IKBKB (0.51) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3516904 0.90 IKBKB (0.49) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3521916 0.89 IKBKB (0.47) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3522470 0.88 PIK3CG (0.54) IKBKBCDK2CDC7CDK19PIK3CA
SCHEMBL3515574 0.88 IKBKB (0.64) IKBKBCDK2CDK1CDK4
SCHEMBL3521723 0.86 IKBKB (0.50) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3519883 0.85 IKBKB (0.52) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3520096 0.84 IKBKB (0.49) IKBKBCDK2CDC7CDK19ABL1
SCHEMBL3521750 0.83 IKBKB (0.65) IKBKBCDK2CDK1CDK4

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 3246/4885CDK2 11/4885CDC7 943/4885

“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.