SCHEMBL789948

SCHEMBL789948

CSc1ccc(C(=O)N(C)c2cccnc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
MLYCD O95822 1/20 0.45
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 8/20 0.43
NOTUM Q6P988 1/20 0.43
HTT P42858 2/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 3/20 0.39
ALOX15 P16050 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.38
OXTR P30559 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12978090 0.86 TRPV1 (0.50) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL791684 0.84 HTT (0.61) TRPV1MLYCDKDM4EKMT2AHTT
SCHEMBL790740 0.83 TRPV1 (0.57) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL789917 0.83 BRAF (0.47) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL789921 0.83 TRPV1 (0.47) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL12978091 0.83 RAB9A (0.46) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL12977961 0.82 TRPV1 (0.60) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL12978092 0.81 TRPV1 (0.48) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL789923 0.81 TRPV1 (0.46) TRPV1MLYCDKDM4EKMT2AHSD17B10
SCHEMBL790745 0.81 MLYCD (0.52) TRPV1MLYCDRAB9ACYP3A4

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 TRPV1 1012/4885MLYCD 2218/4885KDM4E 3161/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885MLYCD 654/4885KDM4E 762/4885

“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.