SCHEMBL3418983

SCHEMBL3418983

Cc1[nH]c(-c2cccnc2)nc1C(=O)NN

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.50
PIN1 Q13526 3/20 0.50
KMT2A Q03164 1/20 0.49
HCRTR1 O43613 1/20 0.48
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC9A1 P19634 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.43
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
LDHA P00338 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL10649656 0.83 PIN1 (0.72) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10679369 0.83 PIN1 (0.55) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10937354 0.83 PIN1 (0.51) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10679043 0.82 PIN1 (0.50) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10939665 0.81 NPY5R (0.49) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10942001 0.80 PIN1 (0.51) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10937913 0.80 PIN1 (0.51) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10938042 0.80 NPY5R (0.48) NPY5RPIN1KMT2AHCRTR1PKN1
SCHEMBL10938735 0.79 PIN1 (0.57) NPY5RPIN1KMT2AHCRTR1ALDH1A1
SCHEMBL10938799 0.79 NPY5R (0.47) NPY5RPIN1KMT2AHCRTR1PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE NPY5R 2360/4885PIN1 39/4885KMT2A 2260/4885

“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.