SCHEMBL3521184

SCHEMBL3521184

O=S(=O)(NCCO)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 1.00
CDK2 P24941 8/20 0.47
CDK4 P11802 4/20 0.47
SYK P43405 1/20 0.46
CA12 O43570 1/20 0.45
ABL1 P00519 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CDK1 P06493 1/20 0.44

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
SCHEMBL3519367 0.88 IKBKB (1.00) IKBKBCDK2CDK4CA12CA2
SCHEMBL3520982 0.88 IKBKB (1.00) IKBKBCDK2CDK4CDK1
SCHEMBL3521539 0.86 IKBKB (0.76) IKBKBCDK2CDK4CDK1
SCHEMBL3518431 0.83 IKBKB (1.00) IKBKBCDK2CDK4SYK
SCHEMBL3521763 0.80 IKBKB (0.76) IKBKBCDK2CDK4SYK
SCHEMBL3520859 0.80 IKBKB (0.76) IKBKBCDK2ABL1
SCHEMBL12423196 0.79 IKBKB (0.65) IKBKBCDK2CDK4SYKCA12
SCHEMBL4159897 0.77 CDK2 (0.64) IKBKBCDK2CDK4CA12ABL1
SCHEMBL12878278 0.77 IKBKB (0.71) IKBKBCDK2CDK4SYKCA12
SCHEMBL3517708 0.77 IKBKB (0.78) IKBKBCA12CA2CA9

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 11/4885CDK4 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.