SCHEMBL5952007

SCHEMBL5952007

COc1ccc2c(-c3nc4cc(C)c(C)cc4[nH]3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.58
CHEK1 O14757 5/20 0.57
PDPK1 O15530 1/20 0.51
ITK Q08881 3/20 0.51
FGFR1 P11362 1/20 0.50
CDK4 P11802 5/20 0.49
CCNA2 P20248 5/20 0.49
CCND1 P24385 5/20 0.49
CDK2 P24941 5/20 0.49
CCND3 P30281 5/20 0.49
KDR P35968 3/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5952280 0.90 AMY1A (0.58) AMY1ACHEK1PDPK1ITKFGFR1
SCHEMBL3542538 0.85 FGFR1 (0.66) CHEK1PDPK1ITKFGFR1CDK4
SCHEMBL3538044 0.82 ITK (0.67) CHEK1PDPK1ITKFGFR1CDK2
SCHEMBL5953214 0.82 CHEK1 (0.53) AMY1ACHEK1PDPK1ITKFGFR1
SCHEMBL5952033 0.80 CHEK1 (0.71) CHEK1FGFR1CDK4CCNA2CCND1
SCHEMBL4912661 0.80 FGFR1 (0.70) CHEK1PDPK1ITKFGFR1CDK4
SCHEMBL4919287 0.80 FGFR1 (0.66) CHEK1PDPK1ITKFGFR1CDK4
SCHEMBL5952855 0.79 FGFR1 (0.52) AMY1ACHEK1PDPK1ITKFGFR1
SCHEMBL3538189 0.77 FGFR1 (0.73) FGFR1CDK4CCNA2CCND1CDK2
SCHEMBL5952152 0.77 TTK (0.58) FGFR1NPC1ALDH1A1TP53HPGD

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 AMY1A 4001/4885CHEK1 286/4885PDPK1 291/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AMY1A 2362/4885CHEK1 321/4885PDPK1 216/4885

“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.