SCHEMBL1368673

SCHEMBL1368673

CC(C)(C)NC(=O)Oc1cc(Cl)nc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
ACHE P22303 4/20 0.36
BCHE P06276 2/20 0.36
GAA P10253 1/20 0.35
HPGDS O60760 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27754710 0.84 POLB (0.38) POLBAPEX1ACHEBCHEHTT
SCHEMBL27961191 0.80 GAA (0.38) POLBAPEX1ACHEBCHEGAA
SCHEMBL27572847 0.80 SMARCA2 (0.40) ACHEBCHEGAAKDM4EALDH1A1
SCHEMBL28030170 0.78 ALDH1A1 (0.41) ACHEBCHEALDH1A1KMT2ALMNA
SCHEMBL27485356 0.77 TP53 (0.36) POLBAPEX1ACHEBCHEHTT
SCHEMBL29287840 0.76 KMT2A (0.40) ACHEBCHEALDH1A1KMT2AHTT
SCHEMBL29185989 0.76 ELANE (0.51) ALDH1A1KMT2AMAPT
SCHEMBL6982295 0.76 S1PR2 (0.44) S1PR2POLBACHEBCHEKDM4E
SCHEMBL28872846 0.75 ACHE (0.36) POLBAPEX1ACHEBCHEKDM4E
SCHEMBL11798709 0.75 FAAH (0.49) POLBBCHEKDM4EALDH1A1

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 S1PR2 880/4885POLB 3313/4885APEX1 3996/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R S1PR2 900/4885POLB 3595/4885APEX1 3926/4885

“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.