SCHEMBL790953

SCHEMBL790953

CN(C(=O)c1ccc(Oc2ccccc2C#N)nc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
NOTUM Q6P988 2/20 0.44
HTR2C P28335 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
OXTR P30559 1/20 0.43
MLNR O43193 2/20 0.41
CYP3A4 P08684 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
GALR3 O60755 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
MLYCD O95822 1/20 0.38
MAP4K4 O95819 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL790001 0.88 SLC22A12 (0.41) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL15093575 0.87 HTT (0.52) MAPK14NOTUMMLNRCYP3A4RAB9A
SCHEMBL791027 0.85 NOTUM (0.58) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL790837 0.84 HRH3 (0.48) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL790934 0.82 MLNR (0.46) TRPV1OXTRMLNRGALR3MAPK1
SCHEMBL790566 0.80 MLNR (0.58) MAPK14TRPV1OXTRMLNRGALR3
SCHEMBL790482 0.80 HTR2C (0.51) NOTUMHTR2CTRPV1OXTRMLNR
SCHEMBL791150 0.79 OXTR (0.62) NOTUMTRPV1OXTRCYP3A4GPBAR1
SCHEMBL790891 0.78 HPGD (0.47) NOTUMHTR2CTRPV1OXTRGPBAR1
SCHEMBL789610 0.78 GPBAR1 (0.54) NOTUMHTR2CTRPV1OXTRMLNR

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 5 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

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 MAPK14 3295/4885NOTUM 2669/4885HTR2C 123/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MAPK14 4228/4885NOTUM 945/4885HTR2C 3115/4885

“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.