SCHEMBL1368554

SCHEMBL1368554

CC(C)(CO)COB(O)c1cnccc1C#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
SLC22A12 Q96S37 1/20 0.32
HTT P42858 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
SCHEMBL15051595 0.75 KMT2A (0.34) MEN1KMT2AGPR119SLC22A12HTT
SCHEMBL18836575 0.74 PLCG1 (0.43)
SCHEMBL520070 0.74 HTT (0.42) MEN1KMT2AHTT
SCHEMBL2112250 0.71 CHRNB2 (0.33)
SCHEMBL29953208 0.67 HTT (0.42) MEN1KMT2AHTT
SCHEMBL4359777 0.67 HTT (0.42) MEN1KMT2AHTT
SCHEMBL17099864 0.67 LATS1 (0.33) MEN1KMT2AGPR119SLC22A12HTT
SCHEMBL16180174 0.66 ENPP2 (0.50)
SCHEMBL22366746 0.64 AAK1 (0.38) MEN1KMT2ASLC22A12
SCHEMBL121398 0.64 DGAT1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190327974-A1 SYNERGISTS FOR IMPROVED PESTICIDES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2019-10-31 US disclosed
WO-2018127928-A1 SYNERGISTS FOR IMPROVED PESTICIDES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2018-07-12 WO disclosed
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP disclosed
US-8586591-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2013-11-19 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (3 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-20190327974-A1 SYNERGISTS FOR IMPROVED PESTICIDES BCHE, DDT, DBF4 MEN1 604/4885KMT2A 1397/4885GPR119 2795/4885
US-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 MEN1 4588/4885KMT2A 1225/4885GPR119 424/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R MEN1 4559/4885KMT2A 1474/4885GPR119 493/4885

“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.