SCHEMBL791961

SCHEMBL791961

CCOc1nc[c]c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.32
NQO1 P15559 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPK1 P28482 2/20 0.30
MAT2A P31153 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9934894 0.83 NCF1 (0.35)
SCHEMBL2068464 0.79 MEN1 (0.33) MEN1KMT2ACYP1A2POLBNQO1
SCHEMBL9935640 0.79 SYK (0.33) KDM4E
SCHEMBL9934511 0.79 THRB (0.36) KMT2A
SCHEMBL791156 0.78 MEN1 (0.32) MEN1KMT2ACYP1A2POLBNQO1
SCHEMBL791089 0.78 MEN1 (0.32) MEN1KMT2ACYP1A2POLBNQO1
SCHEMBL790796 0.78 POLB (0.38) MEN1KMT2ACYP1A2POLBNQO1
SCHEMBL9933834 0.77 NOS3 (0.32)
SCHEMBL9934189 0.77
SCHEMBL9934292 0.74

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 US disclosed
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
EP-2550264-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-01-30 EP disclosed
US-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
WO-2011117286-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 WO 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-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests GRIN2C, GRIN2A, NR2C2 MEN1 4195/4885KMT2A 524/4885CYP1A2 98/4885
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C MEN1 4198/4885KMT2A 1030/4885CYP1A2 127/4885

“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.