SCHEMBL1163326

SCHEMBL1163326

C=C(OCC)c1ccc2nnc(C(C)c3ccc4ncccc4c3)n2n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.61
PDE3A Q14432 4/20 0.56
PDE1A P54750 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
PDE3B Q13370 3/20 0.56
PDE1C Q14123 3/20 0.56
PDE11A Q9HCR9 3/20 0.56
PDE10A Q9Y233 3/20 0.56
PDE2A O00408 1/20 0.55
CHRM2 P08172 1/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55

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
SCHEMBL1163925 0.82 MET (0.74) METPDE3APDE1APDE4CPDE4D
SCHEMBL3585934 0.81 MET (0.74) METPDE3APDE1APDE4CPDE4D
SCHEMBL6521646 0.79 MET (0.71) MET
SCHEMBL1163441 0.79 MET (0.67) MET
SCHEMBL14345674 0.78 MET (0.70) METPDE3APDE1APDE4CPDE4D
SCHEMBL4195337 0.78 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL3599319 0.78 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL2698471 0.78 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL10198801 0.78 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL9910508 0.78 MET (0.73) METPDE3APDE1APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
EP-2464649-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION Novartis AG (CH) 2012-06-20 EP disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 WO disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 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 (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-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET MET 1/4885PDE3A 2105/4885PDE1A 3037/4885

“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.