SCHEMBL3520096

SCHEMBL3520096

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCN(C)C)c(C(F)(F)F)c3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.49
CNR2 P34972 5/20 0.45
AXL P30530 1/20 0.44
CNR1 P21554 3/20 0.44
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
NR4A1 P22736 2/20 0.40
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
SYK P43405 1/20 0.39
JAK2 O60674 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL3521916 0.95 IKBKB (0.47) IKBKBCNR2AXLCNR1ABL1
SCHEMBL3521723 0.89 IKBKB (0.50) IKBKBAXLABL1BCRNR4A1
SCHEMBL3521501 0.89 IKBKB (0.50) IKBKBABL1BCRNR4A1CDC7
SCHEMBL3516443 0.89 CNR2 (0.51) IKBKBCNR2CNR1CCNA2CDK2
SCHEMBL3521750 0.86 IKBKB (0.65) IKBKBCDK2
SCHEMBL3516749 0.86 IKBKB (0.51) IKBKBABL1BCRCDC7CDK19
SCHEMBL3521141 0.84 IKBKB (0.49) IKBKBABL1BCRCDC7CDK19
SCHEMBL3517971 0.84 IKBKB (0.53) IKBKBABL1BCRCDC7CDK19
SCHEMBL3516904 0.84 IKBKB (0.49) IKBKBABL1BCRCDC7CDK19
SCHEMBL4872194 0.84 IKBKB (0.62) IKBKBCDK2

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 6 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
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 EP claimed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 WO 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 3246/4885CNR2 955/4885AXL 224/4885

“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.