SCHEMBL5953224

SCHEMBL5953224

Nc1cc(-c2ccccc2F)c(N)c(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MPL P40238 1/20 0.39
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ADORA2A P29274 1/20 0.36
MAP4K4 O95819 1/20 0.36
SLC9A1 P19634 1/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NOTUM Q6P988 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
MBNL1 Q9NR56 1/20 0.33

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
SCHEMBL6228512 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1ADORA2APTPRC
SCHEMBL7545678 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1ADORA2APTPRC
SCHEMBL397863 0.75 ALDH1A1 (0.68) ALDH1A1KDM4EMPLBACE1L3MBTL1
SCHEMBL7098544 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1ADORA2APTPRCHPGD
SCHEMBL31554259 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EL3MBTL1ADORA2APTPRC
SCHEMBL15365758 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EMPLBACE1L3MBTL1
SCHEMBL28345869 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EL3MBTL1ADORA2APTPRC
SCHEMBL197834 0.74 ACHE (0.47) ALDH1A1KDM4EMPLL3MBTL1PTPRC
SCHEMBL29547174 0.74 ACHE (0.47) ALDH1A1KDM4EMPLL3MBTL1PTPRC
SCHEMBL15051995 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EMPLBACE1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ALDH1A1 1389/4885KDM4E 522/4885MPL 3666/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885KDM4E 645/4885MPL 4020/4885

“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.