SCHEMBL1366764

SCHEMBL1366764

C[Si](C)(C)CCOCn1ccc(-c2cc(Cl)nc(Cl)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F11 P03951 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
CYP19A1 P11511 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
SCHEMBL26453175 0.81 KMT2A (0.45) DGAT1KDM4ETDP1ALDH1A1NPSR1
SCHEMBL30789772 0.80 DGAT1 (0.33) DGAT1F11NPC1
SCHEMBL1441485 0.80 DGAT1 (0.36) DGAT1KDM4EL3MBTL1MEN1NPC1
SCHEMBL3017173 0.80 KEAP1 (0.49) DGAT1L3MBTL1ALDH1A1HTTNPSR1
SCHEMBL30944234 0.80 SCN4A (0.46) DGAT1KDM4EALDH1A1NPSR1MEN1
SCHEMBL29445621 0.77 CYP19A1 (0.34) DGAT1KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL23205956 0.76 ALOX5AP (0.39) DGAT1ALDH1A1HTTNPSR1MEN1
SCHEMBL1366188 0.75 KCNH2 (0.36) DGAT1L3MBTL1
SCHEMBL20526618 0.75 DGAT1 (0.31) DGAT1NPC1
SCHEMBL3024392 0.74 SCN4A (0.44) TDP1L3MBTL1ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 DGAT1 4701/4885KDM4E 1759/4885TDP1 3523/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R DGAT1 4499/4885KDM4E 2146/4885TDP1 3567/4885

“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.