SCHEMBL13649482

SCHEMBL13649482

CCC#CCn1nc(-c2cccc(Cl)n2)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 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
SCHEMBL13649484 0.83 TSHR (0.35) MEN1KMT2APOLBTSHRHTT
SCHEMBL13656291 0.81 PTGS2 (0.42) MEN1KMT2ATDP1POLBTSHR
SCHEMBL13649491 0.81 MEN1 (0.37) MEN1KMT2APOLBTSHRTP53
SCHEMBL13649498 0.79 KDM4E (0.38) MEN1KMT2ATDP1POLBHTT
SCHEMBL3411349 0.78 TSHR (0.40) MEN1KMT2APOLBTSHRMAPT
SCHEMBL13649503 0.78 MEN1 (0.36) MEN1KMT2ATSHRHTTTP53
SCHEMBL5493675 0.77 TSHR (0.56) MEN1KMT2APOLBTSHRTP53
SCHEMBL5498911 0.73 PDE4A (0.43) MEN1KMT2ATSHRHTTTP53
SCHEMBL13649478 0.73 MEN1 (0.34) MEN1KMT2ATSHRHTTMAPT
SCHEMBL8300688 0.72 MAPT (0.45) MEN1KMT2APOLBTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426412-B2 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) 2013-04-23 US disclosed
US-8426412-B2 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) 2013-04-23 US disclosed
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 MEN1 2822/4885KMT2A 1598/4885TDP1 1568/4885

“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.