SCHEMBL6375896

SCHEMBL6375896

CN(C)C=Nc1ncc(Br)nc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 4/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL12788136 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL12788006 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL12466526 0.82 GAA (0.43) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL6374781 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL12466525 0.82 GAA (0.43) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL13063720 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL279459 0.76 ALOX15 (0.40) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL6526087 0.76 GAA (0.41) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL274106 0.76 ALOX15 (0.40) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL274107 0.76 ALOX15 (0.40) ALDH1A1KDM4EHSD17B10LMNAHTT

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
EP-1295890-B1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof TOYAMA CHEMICAL CO LTD (JP) 2005-04-27 EP disclosed
EP-1256588-B1 NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH TOYAMA CHEMICAL CO LTD (JP) 2005-02-02 EP disclosed
US-6800629-B2 VIRICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2004-10-05 US disclosed
US-20030130213-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof TOYAMA CHEMICAL CO., LTD. (JP) 2003-07-10 US disclosed
EP-1295890-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof TOYAMA CHEMICAL CO., LTD. (JP) 2003-03-26 EP disclosed
EP-1256588-A1 NOVEL PYRAZINE DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR THE SALTS AND INTERMEDIATES FOR THE PREPARATION OF BOTH TOYAMA CHEMICAL CO., LTD. (JP) 2002-11-13 EP 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 (1 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-20030130213-A1 Novel pyrazine derivatives or salts thereof, pharmaceutical composition containing the same, and production intermediates thereof GTF3C5, EIF2AK2, GTF3C2 ALDH1A1 734/4885KDM4E 1860/4885HSD17B10 983/4885

“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.