SCHEMBL10172298

SCHEMBL10172298

[C-]#[N+]c1cnc(Nc2cc(NC3CCCCC3)c(N)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
IRAK4 Q9NWZ3 7/20 0.36
TYK2 P29597 1/20 0.35
CHEK1 O14757 3/20 0.35
CHEK2 O96017 3/20 0.35
NUDT1 P36639 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10172311 0.83 KDM4E (0.38) KDM4ECHEK1CHEK2
SCHEMBL620050 0.80 CHEK1 (0.54) CHEK1CHEK2KCNH2
SCHEMBL12122932 0.80 CHEK1 (0.42) KDM4EGAAMAPTIRAK4TYK2
SCHEMBL10172315 0.77 IDO1 (0.41) CHEK1KCNH2
SCHEMBL10172309 0.74 CHEK1 (0.49) CHEK1CHEK2KCNH2
SCHEMBL10172314 0.74 CHEK1 (0.49) CHEK1CHEK2KCNH2
SCHEMBL10172288 0.74 CHEK1 (0.49) CHEK1CHEK2KCNH2
SCHEMBL12122419 0.73 UHRF1 (0.41)
SCHEMBL10220530 0.71 CHEK1 (0.53) IRAK4CHEK1CHEK2JAK2JAK1
SCHEMBL10172337 0.71 CHEK1 (0.44) CHEK1CHEK2JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 KDM4E 1193/4885GAA 1694/4885MAPT 594/4885
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B KDM4E 1296/4885GAA 2118/4885MAPT 852/4885

“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.