SCHEMBL4497527

SCHEMBL4497527

O=C(NCCCn1ccnc1)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL4509800 0.83 GSK3B (0.59) KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15
SCHEMBL2337608 0.82 GSK3B (0.49) KDM4EHSD17B10CDK1CDK2GSK3B
SCHEMBL1379083 0.79 GSK3B (0.46) KDM4EHSD17B10LMNACDK1CDK2
SCHEMBL6206417 0.78 CHRNA7 (0.38) L3MBTL1ALDH1A1HSD17B10ALOX15LMNA
SCHEMBL4392816 0.75 GSK3B (0.61) SMN1; SMN2CDK1CDK2GSK3BMEN1
SCHEMBL4494610 0.74 KDM4E (0.52) KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15
SCHEMBL4502522 0.73 HDAC1 (0.56) KDM4EL3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL4481640 0.73 KDM4E (0.52) KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15
SCHEMBL1775043 0.72 CYP1A2 (0.79) KDM4EL3MBTL1ALDH1A1HSD17B10ALOX15
SCHEMBL4392791 0.72 GSK3B (0.76) CYP1A2CDK1CDK2GSK3BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP claimed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 US claimed
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP disclosed
US-7582669-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2009-09-01 US disclosed
US-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 US 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-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SUCNR1, CNR1, SIGMAR1 KDM4E 4063/4885L3MBTL1 4771/4885ALDH1A1 1490/4885
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia OXSR1, OXER1, OXGR1 KDM4E 3851/4885L3MBTL1 3338/4885ALDH1A1 3728/4885

“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.