SCHEMBL790267

SCHEMBL790267

CCN(C(=O)c1ccc(Cl)nc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
S1PR1 P21453 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL790234 0.87 HTT (0.67) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL13095774 0.86 HTT (0.65) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790701 0.84 HTT (0.44) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL789990 0.84 HTT (0.44) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL790737 0.83 TRPV1 (0.55) HTTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL789977 0.82 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791684 0.82 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790147 0.82 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789613 0.82 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790473 0.81 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19

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-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HTT 1901/4885CYP3A4 642/4885CYP2C9 1710/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885CYP3A4 87/4885CYP2C9 310/4885

“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.