SCHEMBL3302168

SCHEMBL3302168

CCC(C)OP(=O)(O)CCNC1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)c(F)c4)n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.44
CHUK O15111 8/20 0.44
CDK2 P24941 2/20 0.36
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK1 P06493 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
IGF1R P08069 1/20 0.35
NAMPT P43490 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL3299907 0.93 RAB9A (0.40) CDK2CDK4CCNE1MAPTSMN1; SMN2
SCHEMBL3302160 0.86 IKBKB (0.47) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL3299898 0.79 MAPT (0.43) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL3300483 0.75 IKBKB (0.43) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL13392487 0.75 MAPT (0.51) IKBKBCHUKCDK2CCNE1MAPT
SCHEMBL13392087 0.75 IKBKB (0.46) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL3303279 0.74 IKBKB (0.51) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL3306513 0.74 IKBKB (0.51) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL3980488 0.74 IKBKB (0.43) IKBKBCHUKCDK2CDK4CCNE1
SCHEMBL13392085 0.74 RAB9A (0.47) IKBKBCHUKCDK2CCNE1MAPT

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
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 1/4885CDK2 8/4885

“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.