SCHEMBL617560

SCHEMBL617560

CC(C)(C)C(=O)Nc1cc(NC2CCN(C(=O)OCc3ccccc3)CC2)c(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
NOS2 P35228 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
ENPP2 Q13822 3/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
CA2 P00918 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL617505 0.88 GRIN2B (0.57) GRIN2BCYP2D6CYP2C9CYP3A4CA2
SCHEMBL12124917 0.87 GRIN2B (0.45) GRIN2BCYP2D6CYP2C9CYP3A4NOS2
SCHEMBL18052175 0.82 SMN1; SMN2 (0.44) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL620312 0.80 GRIN2B (0.57) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL21752587 0.73 SMN1; SMN2 (0.60) GRIN2BCYP2D6CYP2C9NOS2SMN1; SMN2
SCHEMBL27241040 0.73 SMN1; SMN2 (0.54) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL25219514 0.72 SMN1; SMN2 (0.54) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL924781 0.71 SMN1; SMN2 (0.67) GRIN2BCYP2D6CYP2C9CYP3A4NOS2
SCHEMBL4063407 0.71 TLR9 (0.45) GRIN2BSMN1; SMN2HTTF13A1TGM2
SCHEMBL13974269 0.71 SMN1; SMN2 (0.60) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2

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 13 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-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-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-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-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-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
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 3924/4885CYP2D6 3986/4885CYP2C9 4523/4885
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 3570/4885CYP2D6 3476/4885CYP2C9 4169/4885

“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.