SCHEMBL790848

SCHEMBL790848

COc1cc(OC)nc(Sc2ccc(C(=O)Nc3cccnc3)cn2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HIF1A Q16665 1/20 0.50
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NAMPT P43490 2/20 0.49
BRAF P15056 1/20 0.48
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL791787 0.89 RAB9A (0.57) RAB9ALMNAKMT2APOLBGAA
SCHEMBL790944 0.86 NAMPT (0.55) RAB9ALMNAHIF1ANAMPTNPC1
SCHEMBL12978151 0.86 RAB9A (0.61) RAB9ALMNAKMT2APOLBGAA
SCHEMBL12978195 0.85 RAB9A (0.52) RAB9ALMNAKMT2APOLBGAA
SCHEMBL12978208 0.84 NAMPT (0.55) RAB9ALMNAGAAHIF1ANAMPT
SCHEMBL790263 0.83 LMNA (0.61) RAB9ALMNAGAAHIF1ANAMPT
SCHEMBL791888 0.81 NAMPT (0.54) RAB9ALMNAGAAHIF1ANAMPT
SCHEMBL789982 0.81 RAB9A (0.57) RAB9ALMNAKMT2APOLBGAA
SCHEMBL789589 0.81 RAB9A (0.70) RAB9ALMNAKMT2APOLBGAA
SCHEMBL791143 0.81 RAB9A (0.69) RAB9ALMNAKMT2APOLBGAA

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 RAB9A 1112/4885LMNA 1364/4885KMT2A 1030/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885LMNA 2262/4885KMT2A 412/4885

“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.