SCHEMBL943566

SCHEMBL943566

COc1nccnc1NN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR4 P51679 2/20 0.40
GAA P10253 2/20 0.37
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.33
MAOA P21397 2/20 0.33
PTGS1 P23219 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APLNR P35414 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
ALOX12 P18054 1/20 0.31

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
Hydrochloric Acid SCHEMBL19552078 0.98 MEN1 (0.46) MEN1KMT2ACCR4GAAAURKA
SCHEMBL2629010 0.79 MEN1 (0.45) MEN1KMT2ACCR4GAAAURKA
SCHEMBL9955724 0.78 GRM5 (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL2629008 0.77 MEN1 (0.44) MEN1KMT2ACCR4GAAAURKA
Hydrochloric Acid SCHEMBL28897177 0.77 MEN1 (0.44) MEN1KMT2ACCR4GAAAURKA
SCHEMBL1620588 0.77 GAA (0.34) MEN1KMT2AGAA
Salicyladehyde SCHEMBL7961894 0.76 TRIM24 (0.47) MEN1KMT2ACCR4GAAALDH1A1
SCHEMBL607884 0.74 APLNR (0.40) MEN1KMT2ACCR4AURKATTK
SCHEMBL11465062 0.74 ALDH1A1 (0.39) GAAALDH1A1MAPTMAOAPTGS1
SCHEMBL7599085 0.74 MEN1 (0.45) MEN1KMT2ACCR4GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513260-B2 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
CN-1105707-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2003-04-16 CN disclosed
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
CN-1251578-A Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2000-04-26 CN 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-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 MEN1 3821/4885KMT2A 2640/4885CCR4 2698/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 MEN1 3821/4885KMT2A 2640/4885CCR4 2698/4885

“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.