SCHEMBL3302160

SCHEMBL3302160

CCOP(=O)(CCNC1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)c(F)c4)n3)cc2)CC1)OCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.47
CHUK O15111 7/20 0.47
MAPT P10636 7/20 0.39
TP53 P04637 4/20 0.39
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
SYK P43405 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3299898 0.93 MAPT (0.43) IKBKBCHUKMAPTTP53CDK4
SCHEMBL13392087 0.87 IKBKB (0.46) IKBKBCHUKMAPTTP53CDK4
SCHEMBL3302168 0.86 IKBKB (0.44) IKBKBCHUKMAPTTP53CDK4
SCHEMBL3300483 0.83 IKBKB (0.43) IKBKBCHUKMAPTTP53CDK4
SCHEMBL14020183 0.82 HTR7 (0.43) IKBKBCHUKCDK4CCNE1CDK2
SCHEMBL14020191 0.81 CDK4 (0.40) IKBKBCHUKMAPTTP53CDK4
SCHEMBL3980488 0.79 IKBKB (0.43) IKBKBCHUKMAPTTP53CDK4
SCHEMBL13392487 0.78 MAPT (0.51) IKBKBCHUKMAPTCCNE1CDK2
SCHEMBL3299907 0.78 RAB9A (0.40) MAPTCDK4CCNE1CDK2RXFP1
SCHEMBL14020187 0.78 HTR2A (0.40) IKBKBCHUKCDK4CCNE1CDK2

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 5 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
EP-2118092-A1 NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO 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 IKBKB 2/4885CHUK 1/4885MAPT 3372/4885

“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.