SCHEMBL2374871

SCHEMBL2374871

CNc1ccnnc1.Cc1nc(C2CC2)ncc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.34
HDAC4 P56524 1/20 0.34
LRRK2 Q5S007 2/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RBP4 P02753 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
DHODH Q02127 2/20 0.32

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
SCHEMBL2374960 0.82 HPGD (0.51) HPGDPIK3C3FOSJUNNFKB1
SCHEMBL2374866 0.73 MLNR (0.34) HPGDPIK3C3FOSJUNNFKB1
SCHEMBL3825471 0.70 NNMT (0.39) HPGDFOSJUNNFKB1NFKB2
SCHEMBL84283 0.67
SCHEMBL31324949 0.66 POLB (0.37) HPGDPIK3C3HDAC4FOSJUN
SCHEMBL3822431 0.66 POLB (0.37) HPGDHDAC4FOSJUNNFKB1
SCHEMBL27870383 0.65 GABRP (0.39) HDAC4FOSJUNNFKB1NFKB2
SCHEMBL1014340 0.63 KDM4E (0.40) HDAC4FOSJUNNFKB1NFKB2
SCHEMBL28071054 0.62 FOS (0.37) HPGDPIK3C3FOSJUNNFKB1
SCHEMBL28073266 0.62 CSNK2A1 (0.39) LRRK2SMN1; SMN2KDM4CDHODH

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-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-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-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 (1 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 HPGD 1662/4885PIK3C3 4069/4885HDAC4 857/4885

“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.