SCHEMBL13656285

SCHEMBL13656285

C=CCn1nc(-c2ccc(Cl)cn2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13656292 0.83 TSHR (0.36) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13649495 0.80 POLB (0.35) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13656540 0.79 KDM4E (0.36) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13656283 0.78 TSHR (0.43) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13656290 0.76 POLB (0.44) POLBKDM4EKMT2ATSHRMAPT
SCHEMBL13649501 0.76 TSHR (0.32) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13649506 0.76 TSHR (0.33) KDM4EMEN1KMT2ATSHRMAPT
SCHEMBL5027034 0.75 ALDH1A1 (0.39) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL3411349 0.74 TSHR (0.40) POLBKDM4EMEN1KMT2ATSHR
SCHEMBL13656325 0.74 MEN1 (0.44) POLBMEN1KMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2009-10-08 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 (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-20090253708-A1 2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES PDXK, DPM1, PNPO POLB 4157/4885KDM4E 560/4885MEN1 2822/4885

“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.