SCHEMBL3300136

SCHEMBL3300136

O=C(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 1/20 0.58
NAMPT P43490 1/20 0.56
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
AURKA O14965 3/20 0.48
IKBKB O14920 2/20 0.48
CHUK O15111 2/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
EPHX2 P34913 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL13392338 0.87 IKBKB (0.52) MEN1KMT2AALDH1A1NAMPTRAB9A
SCHEMBL3304655 0.85 MAPT (0.54) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL13392500 0.85 MAPT (0.56) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL13392132 0.83 MAPT (0.54) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3301477 0.83 IKBKB (0.47) MEN1KMT2AALDH1A1NAMPTRAB9A
SCHEMBL13392127 0.83 MAPT (0.53) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL13392326 0.82 MAPT (0.50) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3979813 0.82 MAPT (0.60) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL13392248 0.81 NAMPT (0.55) MEN1KMT2ANAMPTRAB9AMAPT
SCHEMBL13392487 0.81 MAPT (0.51) MEN1KMT2ARAB9AMAPTNPC1

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 MEN1 3381/4885KMT2A 2104/4885ALDH1A1 4380/4885

“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.