SCHEMBL3302525

SCHEMBL3302525

CCN[C@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IDH1 O75874 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
IKBKB O14920 13/20 0.41
CHUK O15111 12/20 0.41
PLK1 P53350 1/20 0.41
MERTK Q12866 1/20 0.40
EGFR P00533 1/20 0.39

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
SCHEMBL3299594 1.00 MAPT (0.47) MAPTMEN1NPC1LMNAALOX12
SCHEMBL14095933 0.88 MAPT (0.50) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3303685 0.86 MAPT (0.50) MAPTMEN1NPC1LMNAALOX12
SCHEMBL13392326 0.86 MAPT (0.50) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3300131 0.86 MAPT (0.50) MAPTMEN1NPC1LMNAALOX12
SCHEMBL13392487 0.85 MAPT (0.51) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3300355 0.82 MAPT (0.47) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3301684 0.82 MAPT (0.47) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3304655 0.82 MAPT (0.54) MAPTMEN1NPC1LMNAALOX12
SCHEMBL13392132 0.82 MAPT (0.54) MAPTMEN1NPC1LMNAALOX12

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 MAPT 3372/4885MEN1 3381/4885NPC1 2882/4885

“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.