SCHEMBL790983

SCHEMBL790983

O=C(Nc1cccnc1)c1ccc(Cl)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.71
CYP11B2 P19099 3/20 0.71
LMNA P02545 3/20 0.69
HIF1A Q16665 1/20 0.69
NAMPT P43490 6/20 0.68
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
KCNQ3 O43525 3/20 0.60
KCNQ2 O43526 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KCNE1 P15382 2/20 0.60
KCNQ1 P51787 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL12707716 0.88 LMNA (0.73) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL2306301 0.84 RAB9A (0.76) LMNANPC1RAB9ASMN1; SMN2KCNQ3
SCHEMBL5215207 0.84 KCNQ3 (0.81) LMNARAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL790699 0.84 NAMPT (0.73) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL10978857 0.83 CYP11B1 (1.00) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL1571386 0.82 LMNA (1.00) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL14082577 0.82 KCNQ3 (0.78) CYP11B1CYP11B2LMNANAMPTNPC1
SCHEMBL13096026 0.82 LMNA (0.69) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL16703342 0.81 CYP11B1 (0.65) CYP11B1CYP11B2LMNAHIF1ANAMPT
SCHEMBL5214172 0.79 CSF1R (0.83) CYP11B1CYP11B2LMNAHIF1ANAMPT

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 7 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
WO-2010112177-A1 ACYLATED AMINOPYRIDINES AND AMINOPYRIDAZINES AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-10-07 WO 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 CYP11B1 396/4885CYP11B2 308/4885LMNA 1364/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR CYP11B1 1491/4885CYP11B2 1325/4885LMNA 2262/4885

“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.