SCHEMBL5952391

SCHEMBL5952391

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
PTGES O14684 1/20 0.40
CHEK1 O14757 1/20 0.39
KMT2A Q03164 2/20 0.38
FLT3 P36888 1/20 0.38
NPBWR1 P48145 4/20 0.38
PDPK1 O15530 1/20 0.36
DGAT1 O75907 2/20 0.35
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
DYRK1A Q13627 1/20 0.35
SOAT1 P35610 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5951733 0.89 CHEK1 (0.39) CHEK1KMT2AFLT3NPBWR1PDPK1
SCHEMBL13374038 0.89 DYRK1A (0.44) ALDH1A1SLC40A1CHEK1KMT2AFLT3
SCHEMBL5952143 0.83 KDM4E (0.39) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13374039 0.83 PDPK1 (0.46) CHEK1KMT2APDPK1DGAT1KCNH2
SCHEMBL15660254 0.82 KDM4E (0.49) ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5952889 0.81 HPSE (0.46) ALDH1A1SMN1; SMN2
SCHEMBL13374061 0.81 KMT2A (0.41) ALDH1A1CHEK1KMT2ADGAT1
SCHEMBL13375256 0.79 MAPT (0.41) ALDH1A1KMT2ADGAT1KCNH2SOAT1
SCHEMBL6695582 0.78 PARP1 (0.45) CHEK1FLT3NPBWR1PDPK1DGAT1
SCHEMBL5952552 0.76 PRSS12 (0.46) ALDH1A1CHEK1KMT2AFLT3SMN1; SMN2

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 12 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-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 1389/4885SLC40A1 4285/4885PTGES 1728/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885SLC40A1 3328/4885PTGES 2427/4885

“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.