SCHEMBL3570306

SCHEMBL3570306

Fc1cccc(-n2cccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.44
MAPK1 P28482 4/20 0.44
GRM5 P41594 1/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL199306 0.86 ALDH1A1 (0.65) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL31519065 0.84 ALDH1A1 (0.63) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL28812535 0.84 ALDH1A1 (0.63) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL31653378 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL4289 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL31517328 0.77 ALDH1A1 (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL13473987 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL30261053 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL13822150 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5
SCHEMBL28030385 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US disclosed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 WO disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS KDM4E 1522/4885ALDH1A1 539/4885NPC1 3134/4885
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA3, KCNQ1 KDM4E 1098/4885ALDH1A1 3006/4885NPC1 960/4885

“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.