SCHEMBL10172274

SCHEMBL10172274

CC(=O)c1cnc(Nc2cnc(C)cn2)cc1NC1CC2CCC(C1)N2C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.63
CHEK2 O96017 3/20 0.63
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
KCNH2 Q12809 2/20 0.47
IRAK4 Q9NWZ3 12/20 0.41
KAT2B Q92831 1/20 0.40
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL10220549 0.90 CHEK1 (0.78) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL10171746 0.88 CHEK1 (0.64) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL10172276 0.81 KAT2B (0.51) CHEK1CHEK2KAT2BBRD4ATAD2
SCHEMBL10218115 0.81 CHEK1 (0.76) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL618145 0.80 CHEK1 (0.75) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL620218 0.77 CHEK1 (1.00) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL620217 0.77 CHEK1 (1.00) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL12122908 0.77 CHEK1 (0.83) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL13893642 0.77 CHEK1 (0.71) CHEK1CHEK2JAK2JAK1JAK3
SCHEMBL620398 0.75 CHEK1 (0.76) CHEK1CHEK2IRAK4

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 3 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

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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 CHEK1 1/4885CHEK2 2/4885JAK2 1110/4885

“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.