SCHEMBL3304673

SCHEMBL3304673

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK8 P45983 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IKBKB O14920 4/20 0.45
CHUK O15111 2/20 0.45
HTR2A P28223 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AURKA O14965 5/20 0.42
AURKB Q96GD4 3/20 0.42
PKM P14618 3/20 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
SCHEMBL3301370 0.85 MAPT (0.48) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3301281 0.84 MEN1 (0.47) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL13392752 0.83 MAPT (0.47) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3300269 0.82 MAPT (0.45) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3296270 0.82 MAPT (0.47) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3306730 0.82 MAPT (0.47) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3300127 0.81 MAPT (0.44) MAPTLMNANPC1MAPK1RAB9A
Picolamine SCHEMBL4090774 0.81 NAMPT (0.44) MAPTLMNAALDH1A1GAARXFP1
SCHEMBL3304667 0.81 MAPT (0.46) MAPTLMNANPC1MAPK1RAB9A
SCHEMBL3298361 0.81 RAB9A (0.47) MAPTLMNANPC1MAPK1RAB9A

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 4 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
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 MAPT 3372/4885LMNA 1756/4885NPC1 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.