SCHEMBL3306775

SCHEMBL3306775

O=S(=O)(c1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1)N1CCC(O)(CN2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.49
AXL P30530 3/20 0.45
MERTK Q12866 2/20 0.45
TYRO3 Q06418 1/20 0.45
HTR2A P28223 1/20 0.43
CCNT1 O60563 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SYK P43405 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL13392692 0.92 IKBKB (0.46) AURKAAXLMERTKTYRO3SMN1; SMN2
SCHEMBL3304685 0.90 EGFR (0.43) AURKAAXLMERTKTYRO3HTR2A
SCHEMBL3299156 0.88 EGFR (0.45) AURKAAXLMERTKTYRO3CCNT1
SCHEMBL13392753 0.88 AURKA (0.47) AURKAAXLMERTKTYRO3HTR2A
SCHEMBL3302649 0.86 AURKA (0.44) AURKAAXLMERTKTYRO3HTR2A
SCHEMBL3298141 0.86 AURKA (0.44) AURKAAXLMERTKTYRO3HTR2A
SCHEMBL3298144 0.86 AURKA (0.44) AURKAAXLMERTKTYRO3HTR2A
SCHEMBL3301370 0.85 MAPT (0.48) HTR2ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3301281 0.84 MEN1 (0.47) HTR2ACDK2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3582698 0.83 IKBKB (0.55)

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 AURKA 1145/4885AXL 1449/4885MERTK 1050/4885

“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.