SCHEMBL5952589

SCHEMBL5952589

COC(=O)c1ccc2[nH]c(-c3n[nH]cc3N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RHEB Q15382 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ATR Q13535 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
BRD4 O60885 1/20 0.43
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL13375193 0.83 CHEK1 (0.38) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL1170648 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL5952721 0.83 RHEB (0.46) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL5952950 0.81 RHEB (0.44) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL14364589 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL30060865 0.80 ROCK1 (0.51) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL28500018 0.80 ROCK1 (0.51) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL5952765 0.79 NPC1 (0.48) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL25318263 0.78 KDM4E (0.75) KDM4EALDH1A1HPGDLMNANPC1
SCHEMBL28500913 0.78 RAB9A (0.45) KDM4EALDH1A1HPGDLMNANPC1

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 KDM4E 522/4885ALDH1A1 1389/4885HPGD 1307/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885ALDH1A1 862/4885HPGD 1623/4885

“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.