SCHEMBL3516749

SCHEMBL3516749

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.51
CDK2 P24941 4/20 0.46
CDC7 O00311 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
EGFR P00533 2/20 0.43
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
PRKCB P05771 2/20 0.43
LCK P06239 2/20 0.43
PRKCA P17252 2/20 0.43
PRKCH P24723 2/20 0.43
PRKCI P41743 2/20 0.43
ZAP70 P43403 2/20 0.43
PRKCE Q02156 2/20 0.43
PRKCQ Q04759 2/20 0.43
PRKCZ Q05513 2/20 0.43
PRKCD Q05655 2/20 0.43
PRKD1 Q15139 2/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43

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
SCHEMBL3516904 0.93 IKBKB (0.49) IKBKBCDK2CDC7CDK19EGFR
SCHEMBL3521141 0.93 IKBKB (0.49) IKBKBCDK2CDC7CDK19EGFR
SCHEMBL3521916 0.91 IKBKB (0.47) IKBKBCDK2CDC7CDK19CDK1
SCHEMBL3515574 0.90 IKBKB (0.64) IKBKBCDK2CDK1CDK4CCNT1
SCHEMBL3521723 0.88 IKBKB (0.50) IKBKBCDK2CDC7CDK19EGFR
SCHEMBL3521501 0.88 IKBKB (0.50) IKBKBCDK2CDC7CDK19EGFR
SCHEMBL12274307 0.88 IKBKB (0.49) IKBKBCDK2CDC7CDK19EGFR
SCHEMBL3519883 0.87 IKBKB (0.52) IKBKBCDK2CDC7CDK19LCK
SCHEMBL3520096 0.86 IKBKB (0.49) IKBKBCDK2CDC7CDK19JAK2
SCHEMBL3521750 0.85 IKBKB (0.65) IKBKBCDK2CDK1CDK4CCNT1

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-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 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.