SCHEMBL3521444

SCHEMBL3521444

FC(F)(F)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.63
ABL1 P00519 3/20 0.59
PRKCA P17252 2/20 0.59
EGFR P00533 1/20 0.59
PRKCD Q05655 1/20 0.59
SYK P43405 2/20 0.59
JAK2 O60674 1/20 0.59
JAK3 P52333 1/20 0.59
AURKA O14965 2/20 0.56
IKBKB O14920 3/20 0.56
CHUK O15111 1/20 0.56
CDK2 P24941 1/20 0.55
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
DYRK1A Q13627 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAPK8 P45983 3/20 0.53
MAPK10 P53779 1/20 0.53
PIK3CG P48736 1/20 0.52

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
SCHEMBL25336685 0.86 IKBKB (0.63) CAMK2DABL1SYKAURKAIKBKB
SCHEMBL31119043 0.86 IKBKB (0.63) CAMK2DABL1SYKAURKAIKBKB
SCHEMBL1593016 0.85 PRKCD (0.79) CAMK2DABL1PRKCAEGFRPRKCD
SCHEMBL4029958 0.83 ABL1 (0.72) CAMK2DABL1PRKCAEGFRPRKCD
SCHEMBL2944816 0.82 CLK1 (0.60) SYKAURKAIKBKBCHUKCDK2
SCHEMBL3521180 0.82 IKBKB (0.67) SYKJAK2IKBKBCHUKCDK2
SCHEMBL4901590 0.81 ABL1 (0.67) ABL1PRKCAAURKACDK2CLK1
SCHEMBL31118991 0.81 PIK3CA (0.76) ABL1PRKCAEGFRSYKIKBKB
SCHEMBL25333930 0.81 PIK3CA (0.76) ABL1PRKCAEGFRSYKIKBKB
SCHEMBL3518043 0.81 IKBKB (0.74) JAK2IKBKBCHUKCDK2MAPK8

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 disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN 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 CAMK2D 3302/4885ABL1 150/4885PRKCA 4738/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 CAMK2D 4000/4885ABL1 206/4885PRKCA 4486/4885

“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.