SCHEMBL13649488

SCHEMBL13649488

CCCOCCOCC#CCn1nc(-c2ccc(Cl)cn2)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL13649487 0.94 MEN1 (0.37) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13649480 0.92 MEN1 (0.38) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL4119720 0.91 MEN1 (0.37) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13649486 0.90 MEN1 (0.37) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13649479 0.88 TSHR (0.36) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13649483 0.88 TSHR (0.34) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13656542 0.84 TSHR (0.43) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13649477 0.84 MEN1 (0.37) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL3411349 0.83 TSHR (0.40) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL13656406 0.80 MEN1 (0.39) TSHRMEN1KMT2AKDM4EALDH1A1

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 4 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
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 TSHR 4117/4885MEN1 2822/4885KMT2A 1598/4885

“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.