SCHEMBL790174

SCHEMBL790174

CN(C(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)nc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.50
POLQ O75417 1/20 0.46
BRAF P15056 2/20 0.46
KDR P35968 2/20 0.46
TRPV1 Q8NER1 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.44
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 2/20 0.41
VNN1 O95497 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
SCHEMBL790745 0.92 MLYCD (0.52) MLYCDPOLQTRPV1GPBAR1HIF1A
SCHEMBL789917 0.87 BRAF (0.47) MLYCDBRAFKDRTRPV1
SCHEMBL789921 0.87 TRPV1 (0.47) MLYCDBRAFKDRTRPV1CYP3A4
SCHEMBL790541 0.87 HTT (0.50) MLYCDPOLQBRAFKDRGPBAR1
SCHEMBL791214 0.84 RAB9A (0.48) TRPV1
SCHEMBL791260 0.82 TRPV1 (0.43) TRPV1CYP3A4
SCHEMBL12978090 0.81 TRPV1 (0.50) MLYCDTRPV1CYP3A4
SCHEMBL789948 0.80 TRPV1 (0.53) MLYCDTRPV1CYP3A4
SCHEMBL791001 0.79 RAB9A (0.58) MLYCDPOLQ
SCHEMBL789923 0.79 TRPV1 (0.46) MLYCDKDRTRPV1GPBAR1CYP3A4

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 MLYCD 2218/4885POLQ 4763/4885BRAF 3567/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MLYCD 654/4885POLQ 1550/4885BRAF 4392/4885

“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.