SCHEMBL3521180

SCHEMBL3521180

O=S(=O)(Cl)c1ccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.67
CHUK O15111 3/20 0.67
SYK P43405 1/20 0.55
MAPK8 P45983 1/20 0.55
MAPK10 P53779 1/20 0.55
CDK2 P24941 1/20 0.52
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
DKK1 O94907 1/20 0.51
GSK3B P49841 1/20 0.51
JAK2 O60674 1/20 0.49

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
SCHEMBL3518043 0.89 IKBKB (0.74) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3521763 0.83 IKBKB (0.76) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL3522027 0.82 IKBKB (0.61) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL25336685 0.82 IKBKB (0.63) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL31119043 0.82 IKBKB (0.63) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL31118991 0.82 PIK3CA (0.76) IKBKBCHUKSYKCDK2PIK3CA
SCHEMBL25333930 0.82 PIK3CA (0.76) IKBKBCHUKSYKCDK2PIK3CA
SCHEMBL3521444 0.82 CAMK2D (0.63) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL3519904 0.82 IKBKB (0.58) IKBKBCHUKSYKMAPK8MAPK10
SCHEMBL3516413 0.82 IKBKB (0.58) IKBKBCHUKSYKMAPK8MAPK10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
EP-2004638-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS Wyeth a Corporation of the State of Delaware (US) 2008-12-24 EP disclosed
WO-2007120593-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS WYETH (US) 2007-10-25 WO disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 EP disclosed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 WO 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 (2 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-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 IKBKB 3482/4885CHUK 1792/4885SYK 1530/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CHUK 2096/4885SYK 2271/4885

“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.