SCHEMBL617304

SCHEMBL617304

Nc1cc(NC2CCNCC2Br)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
BRD4 O60885 6/20 0.34
ATAD2 Q6PL18 2/20 0.34
PLK4 O00444 1/20 0.33
SCN9A Q15858 1/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
MAPK1 P28482 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
SCHEMBL617964 0.74 HRH4 (0.34) BRD4ATAD2SCN9ACCNT1CDK9
SCHEMBL24313847 0.71 KDM4E (0.42) HRH3SCN9AJAK2TYK2MAPK1
SCHEMBL1099803 0.71 SYK (0.41) HRH3SCN9AJAK2TYK2
SCHEMBL30480288 0.66 MKNK1 (0.49) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL617683 0.63 SSTR4 (0.36) BRD4ATAD2SCN9ACCNT1CDK9
SCHEMBL639918 0.63 BRD4 (0.50) HRH3BRD4ATAD2PLK4CCNT1
SCHEMBL21999103 0.63 PRKCZ (0.55)
SCHEMBL639919 0.63 BRD4 (0.50) HRH3BRD4ATAD2PLK4CCNT1
SCHEMBL15535152 0.62 MKNK1 (0.55) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL21999300 0.61 SLC6A2 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 EP disclosed
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
EP-2197874-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) 2010-06-23 EP disclosed
WO-2009044162-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) 2009-04-09 WO 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 MKNK1 111/4885MKNK2 127/4885HRH3 1851/4885
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 MKNK1 322/4885MKNK2 251/4885HRH3 1452/4885

“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.