SCHEMBL5952552

SCHEMBL5952552

CC(C)C(=O)Nc1c[nH]nc1-c1nc2cc(C(=O)NCc3ccccc3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.46
TP53 P04637 2/20 0.44
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITK Q08881 1/20 0.42
PLAU P00749 1/20 0.42
CHEK1 O14757 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 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
SCHEMBL5952143 0.85 KDM4E (0.39) PRSS12SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL5952157 0.84 SMN1; SMN2 (0.46) PRSS12TP53MAPK3MAPK1SMN1; SMN2
SCHEMBL15660254 0.80 KDM4E (0.49) TP53MAPK1SMN1; SMN2FGFR1MAPT
SCHEMBL5953097 0.78 HPSE (0.45) PRSS12MAPK1SMN1; SMN2ITKROCK2
SCHEMBL4914894 0.77 ITK (0.67) MAPK3MAPK1SMN1; SMN2ITKCHEK1
SCHEMBL5952391 0.76 ALDH1A1 (0.41) SMN1; SMN2CHEK1KDRALDH1A1KMT2A
SCHEMBL13373875 0.75 TSHR (0.48) MAPK1ROCK2ROCK1MAPTKDM4E
SCHEMBL5952889 0.75 HPSE (0.46) TP53SMN1; SMN2ITKMAPTKDM4E
SCHEMBL12109586 0.73 PLAU (0.57) TP53MAPK3MAPK1ITKPLAU
SCHEMBL5952590 0.73 FLT3 (0.56) MAPK3MAPK1ITKCHEK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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 PRSS12 3820/4885TP53 1561/4885MAPK3 76/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PRSS12 3802/4885TP53 2080/4885MAPK3 78/4885

“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.