SCHEMBL619992

SCHEMBL619992

COc1ccc(-c2cnc(N)cc2NCC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
BTK Q06187 6/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
VCP P55072 1/20 0.41
ACP1 P24666 2/20 0.41
TRPC6 Q9Y210 2/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
EGFR P00533 1/20 0.40
TEC P42680 1/20 0.40
BMX P51813 1/20 0.40
CD69 Q07108 1/20 0.40
ITK Q08881 1/20 0.40
KCNH2 Q12809 1/20 0.40
ERBB4 Q15303 1/20 0.40
GP6 Q9HCN6 1/20 0.40
NUDT5 Q9UKK9 1/20 0.40
MAP4K4 O95819 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
SCHEMBL10172522 0.88 TGFBR1 (0.51) GRIN2BBACE1
SCHEMBL620540 0.85 DYRK1A (0.43) TRPC6MAP4K4
SCHEMBL619919 0.83 CHEK1 (0.60) CHEK1
SCHEMBL617329 0.77 KDM4E (0.39) GRIN2BBTKCHEK1
SCHEMBL620508 0.77 KDM4E (0.39) GRIN2BBTKJAK2JAK1JAK3
SCHEMBL620336 0.76 CHEK1 (0.43) GRIN2BVCPCHEK1
SCHEMBL13893672 0.74 CHEK1 (0.60) JAK2JAK1JAK3CHEK1
SCHEMBL620042 0.74 ALDH1A1 (0.60) JAK1BACE1
SCHEMBL618265 0.73 CHEK1 (0.56) CHEK1
SCHEMBL617690 0.72 CHEK1 (0.73) KCNH2CHEK1

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 GRIN2B 3924/4885BTK 749/4885JAK2 1110/4885
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 GRIN2B 3570/4885BTK 574/4885JAK2 1688/4885

“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.