SCHEMBL13035005

SCHEMBL13035005

CCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.83
MUS81 Q96NY9 1/20 0.83
KDM4C Q9H3R0 2/20 0.44
KDM6B O15054 1/20 0.44
LIMK1 P53667 9/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BLM P54132 4/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
CASP1 P29466 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP7 P55210 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CDC25B P30305 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.39

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
Pixantrone SCHEMBL29372192 0.93 ECE1 (0.72) ECE1MUS81KDM4CMAOAMAOB
Pixantrone SCHEMBL7825 0.93 ECE1 (0.72) ECE1MUS81KDM4CMAOAMAOB
Pixantrone SCHEMBL17673194 0.92 ECE1 (0.70) ECE1MUS81KDM4CMAOAMAOB
Pixantrone SCHEMBL7771183 0.92 ECE1 (0.70) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL13524774 0.90 ECE1 (0.68) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL28381205 0.87 ECE1 (0.65) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL29642208 0.87 ECE1 (0.65) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL29642192 0.87 ECE1 (0.65) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL28887626 0.87 ECE1 (0.65) ECE1MUS81KDM4CMAOAMAOB
SCHEMBL29642322 0.87 ECE1 (0.65) ECE1MUS81KDM4CMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers AJAMI ALFRED M 2010-11-18 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 (1 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-20100292231-A1 Indazole Compounds for Treating Inflammatory Disorders, Demyelinating Disorders and Cancers FLT3, CSF3R, CSF1R ECE1 3774/4885MUS81 4686/4885KDM4C 3910/4885

“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.