SCHEMBL3304685

SCHEMBL3304685

Cc1cc(Nc2nc(Nc3ccc(S(=O)(=O)N4CCC(O)(CN5CCCC5)CC4)cc3)ncc2F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
BTK Q06187 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AXL P30530 5/20 0.42
TYRO3 Q06418 2/20 0.42
MERTK Q12866 2/20 0.42
SYK P43405 6/20 0.42
AURKA O14965 4/20 0.42
JAK2 O60674 4/20 0.42
FLT3 P36888 3/20 0.42
CDK2 P24941 3/20 0.42
JAK3 P52333 3/20 0.42
PLK4 O00444 2/20 0.42
DAPK3 O43293 2/20 0.42
PAK4 O96013 2/20 0.42
NTRK1 P04629 2/20 0.42
INSR P06213 2/20 0.42
LCK P06239 2/20 0.42
FYN P06241 2/20 0.42
CSF1R P07333 2/20 0.42

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
SCHEMBL3299156 0.98 EGFR (0.45) EGFRBTKSMN1; SMN2AXLTYRO3
SCHEMBL3298122 0.93 EGFR (0.44) EGFRBTKAXLTYRO3MERTK
SCHEMBL3306775 0.90 AURKA (0.49) EGFRSMN1; SMN2AXLTYRO3MERTK
SCHEMBL3301294 0.90 CDK2 (0.39) EGFRBTKSMN1; SMN2AXLTYRO3
SCHEMBL3304759 0.90 CDK2 (0.39) EGFRBTKSMN1; SMN2AXLTYRO3
SCHEMBL3298531 0.88 CDK2 (0.39) EGFRBTKAXLTYRO3MERTK
SCHEMBL3304661 0.88 CDK2 (0.39) EGFRBTKAXLTYRO3MERTK
SCHEMBL3298527 0.88 CDK2 (0.39) EGFRBTKAXLTYRO3MERTK
SCHEMBL3295573 0.87 IKBKB (0.44) SMN1; SMN2JAK2CDK2JAK3CCNE1
SCHEMBL13392692 0.87 IKBKB (0.46) SMN1; SMN2AXLTYRO3MERTKSYK

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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE EGFR 1933/4885BTK 214/4885SMN1; SMN2 2164/4885

“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.